Geometry & MOs

Info

ID:	159637
PubChem CID:	57288565
Reduced:	Cl2O2H8C11 (1)
Stoich.:	A2B2C8D11 (1)
Weight, g/mol:	293.137556
ΔH_f, kcal/mol:	-60.81
Dipole, Da:	4.18
IP(EA), eV:	-9.78(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

C1C=C(C(C(=O)O1)C2=CC=CC=C2Cl)Cl

DOS

IR

Vibrations