Geometry & MOs

Info

ID:

174693

PubChem CID:

75806468

Reduced:

SO3N5H10C13 (1)

Stoich.:

AB3C5D10E13 (1)

Weight, g/mol:

407.987951

ΔHf, kcal/mol:

27.33

Dipole, Da:

5.34

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.855338

Charge, e:

 -1

Chem-info

IUPAC name:

3-carbamoyl-2-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-5-oxo-7aH-thieno[3,2-b]pyridin-7-olate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)NC(C(=O)N2)CC(=NC3=NN=CS3)[O-]

DOS

IR

Vibrations