Geometry & MOs

Info

ID:	206803
PubChem CID:	80304080
Reduced:	NSO4C15H23 (1)
Stoich.:	ABC4D15E23 (1)
Weight, g/mol:	313.134779
ΔH_f, kcal/mol:	-176.24
Dipole, Da:	5.18
IP(EA), eV:	-9.94(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethyl-4-hydroxybutyl)-2-methyl-5-methylsulfonylbenzamide

Drug info:

PubChemData

Smile

CCC(CCO)CNC(=O)C1=CC=C(C=C1)CS(=O)(=O)C

DOS

IR

Vibrations