Geometry & MOs

Info

ID:	430354
PubChem CID:	135170418
Reduced:	SN3F6O6C23H23 (1)
Stoich.:	AB3C6D6E23F23 (1)
Weight, g/mol:	1078.616501
ΔH_f, kcal/mol:	-517.14
Dipole, Da:	3.82
IP(EA), eV:	-9.64(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-hexyl-15-methyl-4-(3-methylnonan-3-yl)-N-(4-methylphenyl)-N,19-bis(2-phenylphenyl)-19-azanonacyclo[18.9.2.28,11.112,14.01,9.02,7.013,18.023,30.024,29]tetratriaconta-2(7),3,5,8,10,13(18),14,16,20(31),21,23(30),24(29),25,27,33-pentadecaen-27-amine

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCC(C(=O)N1CC2=C(C1C(=O)NC3=CC=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O)C=CC(=C2)S(=O)(=O)NC)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCC(C(=O)N1CC2=C(C1C(=O)NC3=CC=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O)C=CC(=C2)S(=O)(=O)NC)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):