Geometry & MOs

Info

ID:

174702

PubChem CID:

75806477

Reduced:

N2S2O4H15C22 (1)

Stoich.:

A2B2C4D15E22 (1)

Weight, g/mol:

436.055149

ΔHf, kcal/mol:

-21.45

Dipole, Da:

2.79

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.770866

Charge, e:

 0

Chem-info

IUPAC name:

7-hydroxy-5-oxo-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-7aH-thieno[3,2-b]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CSC3=C(C4=NC(=O)C=C(C4S3)[O-])C(=O)N

DOS

IR

Vibrations