Geometry & MOs

Info

ID:	340600
PubChem CID:	127262611
Reduced:	NO5C24H27 (1)
Stoich.:	AB5C24D27 (1)
Weight, g/mol:	409.188923
ΔH_f, kcal/mol:	-178.19
Dipole, Da:	4.47
IP(EA), eV:	-9.27(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)/C=C/C(=O)O

DOS

IR

Vibrations