Geometry & MOs

Info

ID:	138685
PubChem CID:	52408247
Reduced:	SN4O5C19H22 (1)
Stoich.:	AB4C5D19E22 (1)
Weight, g/mol:	411.081969
ΔH_f, kcal/mol:	-66.94
Dipole, Da:	8.61
IP(EA), eV:	-9.62(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-fluorophenyl)-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CNC2=CC=C(C=C2)S(=O)(=O)N(C)CC=C

DOS

IR

Vibrations