Geometry & MOs

Info

ID:	89984
PubChem CID:	49965739
Reduced:	S2N3O6H17C18 (1)
Stoich.:	A2B3C6D17E18 (1)
Weight, g/mol:	400.029997
ΔH_f, kcal/mol:	-180.26
Dipole, Da:	3.98
IP(EA), eV:	-8.56(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C(=O)N

DOS

IR

Vibrations