Geometry & MOs

Info

ID:	273311
PubChem CID:	103770886
Reduced:	NSO2C13H21 (1)
Stoich.:	ABC2D13E21 (1)
Weight, g/mol:	313.134779
ΔH_f, kcal/mol:	-102.06
Dipole, Da:	2.63
IP(EA), eV:	-9.3(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfonyl-N-(2-hydroxy-4-methylpentyl)benzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)C(=O)NCC(CC(C)C)O

DOS

IR

Vibrations