Geometry & MOs

Info

ID:	27680
PubChem CID:	823025
Reduced:	ClNO4C11H12 (1)
Stoich.:	ABC4D11E12 (1)
Weight, g/mol:	303.066221
ΔH_f, kcal/mol:	-169.7
Dipole, Da:	5.75
IP(EA), eV:	-10.11(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

C[C@H]([C@H](C(=O)O)NC(=O)C1=CC=CC=C1Cl)O

DOS

IR

Vibrations