Geometry & MOs

Info

ID:	271507
PubChem CID:	103681535
Reduced:	SN2O2C12H18 (1)
Stoich.:	AB2C2D12E18 (1)
Weight, g/mol:	219.1293
ΔH_f, kcal/mol:	-74.69
Dipole, Da:	5.65
IP(EA), eV:	-8.38(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-methylbutanamide

Drug info:

PubChemData

Smile

CC(CNC(=O)CC1=CN=CC=C1)(CSC)O

DOS

IR

Vibrations