Geometry & MOs

Info

ID:	217785
PubChem CID:	85088383
Reduced:	N5O6H17C18 (1)
Stoich.:	A5B6C17D18 (1)
Weight, g/mol:	399.168188
ΔH_f, kcal/mol:	-165.29
Dipole, Da:	8.62
IP(EA), eV:	-9.47(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-carboxyethylamino)-2-methoxy-5-oxo-4-[(4-phenylphenyl)methyl]pentanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CN=C3C2C(=O)N=C(N3)N)C(=O)NC(CCC(=O)O)C(=O)O

DOS

IR

Vibrations