Geometry & MOs

Info

ID:	70011
PubChem CID:	47206685
Reduced:	BrNSO3C13H18 (1)
Stoich.:	ABCD3E13F18 (1)
Weight, g/mol:	319.064507
ΔH_f, kcal/mol:	-132.6
Dipole, Da:	3.62
IP(EA), eV:	-9.59(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chlorophenyl)methylsulfonyl]-N-(1-methoxypropan-2-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CS(=O)(=O)CC1=CC=C(C=C1)Br

DOS

IR

Vibrations