Geometry & MOs

Info

ID:	90004
PubChem CID:	49965783
Reduced:	NSO2H3C6 (2)
Stoich.:	ABC2D3E6 (2)
Weight, g/mol:	403.066048
ΔH_f, kcal/mol:	-87.57
Dipole, Da:	7.8
IP(EA), eV:	-8.61(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(NC2=C(C1=O)SC3=C2C4=C(S3)C(=O)C=C(N4)O)O

DOS

IR

Vibrations