Geometry & MOs

Info

ID:	70884
PubChem CID:	48413997
Reduced:	OSN4H16C19 (1)
Stoich.:	ABC4D16E19 (1)
Weight, g/mol:	376.156912
ΔH_f, kcal/mol:	72.25
Dipole, Da:	5.74
IP(EA), eV:	-9.09(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azepan-1-ylsulfonyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

DOS

IR

Vibrations