Geometry & MOs

Info

ID:	158138
PubChem CID:	56463045
Reduced:	ClSO3N4H15C17 (1)
Stoich.:	ABC3D4E15F17 (1)
Weight, g/mol:	419.120068
ΔH_f, kcal/mol:	-37.73
Dipole, Da:	10.88
IP(EA), eV:	-8.68(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-fluoro-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=C(C=C1)NS(=O)(=O)C2=CN(N=C2)C3=CC=CC=C3)Cl

DOS

IR

Vibrations