Geometry & MOs

Info

ID:	156423
PubChem CID:	56370534
Reduced:	BrClNSO3C18H19 (1)
Stoich.:	ABCDE3F18G19 (1)
Weight, g/mol:	426.99115
ΔH_f, kcal/mol:	-100.13
Dipole, Da:	3.0
IP(EA), eV:	-9.39(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)sulfonyl-2-methyl-N-(2-methylsulfanylphenyl)propanamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)NCCC1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations