Geometry & MOs

Info

ID:	126641
PubChem CID:	50971065
Reduced:	ClOSN6H13C17 (1)
Stoich.:	ABCD6E13F17 (1)
Weight, g/mol:	346.135114
ΔH_f, kcal/mol:	112.85
Dipole, Da:	9.07
IP(EA), eV:	-8.72(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CN1C2=NC(=O)CC(C2=C(N1)C3=CC=CC=N3)C4=C(N=C5N4C=CS5)Cl

DOS

IR

Vibrations