Geometry & MOs

Info

ID:	10302
PubChem CID:	100081
Reduced:	NO4C17H17 (1)
Stoich.:	AB4C17D17 (1)
Weight, g/mol:	299.115758
ΔH_f, kcal/mol:	-128.81
Dipole, Da:	3.62
IP(EA), eV:	-9.71(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations