Geometry & MOs

Info

ID:	279357
PubChem CID:	103843388
Reduced:	NSO2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	295.1606
ΔH_f, kcal/mol:	-94.26
Dipole, Da:	3.65
IP(EA), eV:	-8.8(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methyl-5-methylsulfanylbenzamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1CSC2=CC=CC=C12)CO

DOS

IR

Vibrations