Geometry & MOs

Info

ID:	131096
PubChem CID:	51155731
Reduced:	ClN2O2H15C17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	321.114713
ΔH_f, kcal/mol:	-15.3
Dipole, Da:	2.03
IP(EA), eV:	-9.33(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-imidazol-1-ylpropyl)-2-methyl-5-methylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)/C=C/C(=O)NNC(=O)C2=CC=CC=C2)Cl

DOS

IR

Vibrations