Geometry & MOs

Info

ID:	342774
PubChem CID:	127265937
Reduced:	ON4C13H22 (1)
Stoich.:	AB4C13D22 (1)
Weight, g/mol:	342.044106
ΔH_f, kcal/mol:	-37.96
Dipole, Da:	4.16
IP(EA), eV:	-8.78(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-[2-cyanoethyl(prop-2-enyl)sulfamoyl]-5-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)NCC(C)CN(C)C

DOS

IR

Vibrations