Geometry & MOs

Info

ID:	46428
PubChem CID:	10524382
Reduced:	NO4H23C24 (1)
Stoich.:	AB4C23D24 (1)
Weight, g/mol:	389.162708
ΔH_f, kcal/mol:	-101.47
Dipole, Da:	4.24
IP(EA), eV:	-9.36(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[benzyl(phenylmethoxycarbonyl)amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

COC(=O)[C@](CC1=CC=CC=C1)([C@H](C2=CC=CC=C2)NC(=O)C3=CC=CC=C3)O

DOS

IR

Vibrations