Geometry & MOs

Info

ID:	336944
PubChem CID:	127255951
Reduced:	NO4C22H23 (1)
Stoich.:	AB4C22D23 (1)
Weight, g/mol:	409.188923
ΔH_f, kcal/mol:	-154.48
Dipole, Da:	8.27
IP(EA), eV:	-9.31(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(E,2R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pent-3-en-2-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](N(C1=O)C(=O)CCC(=O)O)CC2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations