Geometry & MOs

Info

ID:	174445
PubChem CID:	75764680
Reduced:	F2S2N3O4H10C16 (1)
Stoich.:	A2B2C3D4E10F16 (1)
Weight, g/mol:	411.015905
ΔH_f, kcal/mol:	-146.7
Dipole, Da:	2.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.771008
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)NC(=O)CSC2=C(C3=NC(=O)C=C(C3S2)[O-])C(=O)N

DOS

IR

Vibrations