Geometry & MOs

Info

ID:	436284
PubChem CID:	135197439
Reduced:	N2H34C39 (1)
Stoich.:	A2B34C39 (1)
Weight, g/mol:	244.030649
ΔH_f, kcal/mol:	130.08
Dipole, Da:	2.2
IP(EA), eV:	-8.03(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxysulfanyl-6-oxo-4-phenyl-1H-pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)/C=C/C3=CC(=CC(=C3)C)/C=C/C4=CC5=C(C=C4)N(C6=CC=CC=C65)CC)C7=CC=CC=C71

DOS

IR

Vibrations