Geometry & MOs

Info

ID:	378657
PubChem CID:	134224751
Reduced:	NSO6C21H31 (1)
Stoich.:	ABC6D21E31 (1)
Weight, g/mol:	383.1674
ΔH_f, kcal/mol:	-278.55
Dipole, Da:	3.71
IP(EA), eV:	-10.24(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

18,18-dimethyl-14-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene

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

CC1([C@H](C1C2=CC=C(C=C2)S(=O)(=O)N(C(=O)OC(C)(C)C)C(C)(C)C)C(=O)O)C

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

CC1([C@H](C1C2=CC=C(C=C2)S(=O)(=O)N(C(=O)OC(C)(C)C)C(C)(C)C)C(=O)O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):