Geometry & MOs

Info

ID:	278075
PubChem CID:	103833160
Reduced:	SN2O2C10H18 (1)
Stoich.:	AB2C2D10E18 (1)
Weight, g/mol:	232.160935
ΔH_f, kcal/mol:	-97.49
Dipole, Da:	2.95
IP(EA), eV:	-8.62(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-amino-N-(1-ethylsulfanylpropan-2-yl)-3-methylpentanamide

Drug info:

PubChemData

Smile

COC1CC(NC1)C(=O)NC2CCSC2

DOS

IR

Vibrations