Geometry & MOs

Info

ID:	63177
PubChem CID:	26746579
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	256.06147
ΔH_f, kcal/mol:	-169.95
Dipole, Da:	4.9
IP(EA), eV:	-8.42(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(2-chloropyridin-3-yl)amino]-1-oxopropan-2-yl] propanoate

Drug info:

PubChemData

Smile

CCC(=O)O[C@H](C)C(=O)NC1=C(C=CC(=C1)C)OC

DOS

IR

Vibrations