Geometry & MOs

Info

ID:	150546
PubChem CID:	53790239
Reduced:	PSN2C8H21 (1)
Stoich.:	ABC2D8E21 (1)
Weight, g/mol:	216.147393
ΔH_f, kcal/mol:	-76.18
Dipole, Da:	6.23
IP(EA), eV:	-8.65(1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methylpentanamide

Drug info:

PubChemData

Smile

CCP(=S)(C)NCCCN(C)C

DOS

IR

Vibrations