Geometry & MOs

Info

ID:	37852
PubChem CID:	8025112
Reduced:	NO2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	410.060425
ΔH_f, kcal/mol:	-64.51
Dipole, Da:	3.41
IP(EA), eV:	-8.97(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)sulfanyl-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC(=O)NC2=CC=CC=C2C(=O)C)C

DOS

IR

Vibrations