Geometry & MOs

Info

ID:	6984
PubChem CID:	70889
Reduced:	N2O5C19H20 (1)
Stoich.:	A2B5C19D20 (1)
Weight, g/mol:	356.137222
ΔH_f, kcal/mol:	-171.82
Dipole, Da:	4.52
IP(EA), eV:	-9.74(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations