Geometry & MOs

Info

ID:	379558
PubChem CID:	134444565
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	243.1293
ΔH_f, kcal/mol:	-80.8
Dipole, Da:	2.56
IP(EA), eV:	-9.5(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-N-[(3R)-5-methyl-2-oxo-1-sulfanylidenehexan-3-yl]propanamide

Drug info:

PubChemData

Smile

CCC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)C

DOS

IR

Vibrations