Geometry & MOs

Info

ID:	206802
PubChem CID:	80304079
Reduced:	N2S2O4C13H22 (1)
Stoich.:	A2B2C4D13E22 (1)
Weight, g/mol:	313.134779
ΔH_f, kcal/mol:	-158.43
Dipole, Da:	4.74
IP(EA), eV:	-9.47(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethyl-4-hydroxybutyl)-4-(methylsulfonylmethyl)benzamide

Drug info:

PubChemData

Smile

CCC(CCO)CNC(=O)CCNS(=O)(=O)C1=CC=CS1

DOS

IR

Vibrations