Geometry & MOs

Info

ID:	89903
PubChem CID:	49965299
Reduced:	S2N3O3H13C19 (1)
Stoich.:	A2B3C3D13E19 (1)
Weight, g/mol:	364.03402
ΔH_f, kcal/mol:	-27.86
Dipole, Da:	5.75
IP(EA), eV:	-9.28(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-2-(naphthalen-2-ylmethylsulfanyl)-7-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CSC3=NC4=C(S3)C(=O)NC(=O)N4

DOS

IR

Vibrations