Geometry & MOs

Info

ID:	70010
PubChem CID:	47206674
Reduced:	NSO3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	347.01908
ΔH_f, kcal/mol:	-95.59
Dipole, Da:	1.65
IP(EA), eV:	-9.64(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromophenyl)methylsulfonyl]-N-tert-butylacetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CC1)S(=O)(=O)CC2=CC=CC=C2

DOS

IR

Vibrations