Geometry & MOs

Info

ID:	156484
PubChem CID:	56370794
Reduced:	BrNSO3C20H22 (1)
Stoich.:	ABCD3E20F22 (1)
Weight, g/mol:	466.05619
ΔH_f, kcal/mol:	-70.32
Dipole, Da:	1.78
IP(EA), eV:	-9.53(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)sulfonyl-2-methyl-N-[3-(2-methylpropanoylamino)phenyl]propanamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)NCC1(CC1)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations