Geometry & MOs

Info

ID:	46634
PubChem CID:	10525783
Reduced:	S2O3N5H15C18 (1)
Stoich.:	A2B3C5D15E18 (1)
Weight, g/mol:	413.119798
ΔH_f, kcal/mol:	6.38
Dipole, Da:	5.99
IP(EA), eV:	-8.95(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzhydrylsulfinyl-N-pyridin-3-ylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CSC2=NN(C(=C2C#N)N)C(=O)NS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations