Geometry & MOs

Info

ID:	279397
PubChem CID:	103843743
Reduced:	NO2C10H21 (1)
Stoich.:	AB2C10D21 (1)
Weight, g/mol:	313.134779
ΔH_f, kcal/mol:	-128.94
Dipole, Da:	2.99
IP(EA), eV:	-9.74(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylsulfonylbenzamide

Drug info:

PubChemData

Smile

CCC(=O)NCC(CC)(CC)CO

DOS

IR

Vibrations