Geometry & MOs

Info

ID:

174694

PubChem CID:

75806469

Reduced:

ClS2N3O4H11C16 (1)

Stoich.:

AB2C3D4E11F16 (1)

Weight, g/mol:

408.995776

ΔHf, kcal/mol:

-62.48

Dipole, Da:

4.38

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.772143

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-7-hydroxy-5-oxo-7aH-thieno[3,2-b]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)NC(=O)CSC2=C(C3=NC(=O)C=C(C3S2)[O-])C(=O)N

DOS

IR

Vibrations