Geometry & MOs

Info

ID:	251353
PubChem CID:	103103391
Reduced:	N3O5C13H17 (1)
Stoich.:	A3B5C13D17 (1)
Weight, g/mol:	293.137556
ΔH_f, kcal/mol:	-191.15
Dipole, Da:	2.5
IP(EA), eV:	-9.25(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)NC1=CC(=CC=C1)OCC(=O)O

DOS

IR

Vibrations