Geometry & MOs

Info

ID:	89922
PubChem CID:	49965396
Reduced:	ClOSF3N4H20C25 (1)
Stoich.:	ABCD3E4F20G25 (1)
Weight, g/mol:	469.016905
ΔH_f, kcal/mol:	-124.18
Dipole, Da:	7.48
IP(EA), eV:	-8.62(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC2=CC3=C(N=C21)SC(=C3N)C(=O)NC4=C(C=C(C=C4)Cl)C(F)(F)F)CC5=CC=CC=C5

DOS

IR

Vibrations