Geometry & MOs

Info

ID:	156390
PubChem CID:	56370412
Reduced:	BrClNSO5H17C18 (1)
Stoich.:	ABCDE5F17G18 (1)
Weight, g/mol:	403.08168
ΔH_f, kcal/mol:	-162.01
Dipole, Da:	4.08
IP(EA), eV:	-8.54(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)sulfonyl-N,2-dimethyl-N-(4-methylpentan-2-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)NC1=CC2=C(C=C1Cl)OCCO2)S(=O)(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations