Geometry & MOs

Info

ID:	140482
PubChem CID:	52706682
Reduced:	ClN3O3H20C21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	428.072819
ΔH_f, kcal/mol:	-38.58
Dipole, Da:	0.77
IP(EA), eV:	-8.74(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[2-(4-chlorophenyl)-2-methylpropyl]-5-(dimethylsulfamoyl)benzamide

Drug info:

PubChemData

Smile

CC[C@H](C1=CC2=C(C=C1)OCCO2)NC(=O)/C=C/C3=C(N=C4N3C=CC=C4)Cl

DOS

IR

Vibrations