Geometry & MOs

Info

ID:	156426
PubChem CID:	56370541
Reduced:	BrNSO5C21H24 (1)
Stoich.:	ABCD5E21F24 (1)
Weight, g/mol:	399.05038
ΔH_f, kcal/mol:	-169.14
Dipole, Da:	3.03
IP(EA), eV:	-8.8(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)sulfonyl-N-(cyclohex-3-en-1-ylmethyl)-2-methylpropanamide

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C(C)(C)S(=O)(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations