Geometry & MOs

Info

ID:	26018
PubChem CID:	636314
Reduced:	O2C53H106 (1)
Stoich.:	A2B53C106 (1)
Weight, g/mol:	461.2162
ΔH_f, kcal/mol:	-333.8
Dipole, Da:	1.89
IP(EA), eV:	-10.41(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(2,6-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide;(2R,3R)-2,3-dihydroxybutanedioic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC

DOS

IR

Vibrations