Geometry & MOs

Info

ID:	244023
PubChem CID:	99309408
Reduced:	SO3N4C25H30 (1)
Stoich.:	AB3C4D25E30 (1)
Weight, g/mol:	461.177313
ΔH_f, kcal/mol:	-89.81
Dipole, Da:	4.35
IP(EA), eV:	-8.94(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-2-phenylsulfanylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=C2C(=C(SC2=N1)C(=O)NC3CCN(CC3)C(=O)CC4=CC(=CC=C4)OC)C)C

DOS

IR

Vibrations