Geometry & MOs

Info

ID:	47237
PubChem CID:	10530810
Reduced:	FSN2O11C23H25 (1)
Stoich.:	ABC2D11E23F25 (1)
Weight, g/mol:	556.209718
ΔH_f, kcal/mol:	-491.82
Dipole, Da:	9.37
IP(EA), eV:	-10.17(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-2-[(4-phenyl-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)oxy]acetic acid

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

CCC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=O)N(C2=O)[C@H]3[C@@H]([C@H]([C@@H](CO3)OC(=O)C)OC(=O)C)OC(=O)C)F

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

CCC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=O)N(C2=O)[C@H]3[C@@H]([C@H]([C@@H](CO3)OC(=O)C)OC(=O)C)OC(=O)C)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):