Geometry & MOs

Info

ID:	340599
PubChem CID:	127262610
Reduced:	NO2C20H23 (1)
Stoich.:	AB2C20D23 (1)
Weight, g/mol:	409.188923
ΔH_f, kcal/mol:	-48.18
Dipole, Da:	1.9
IP(EA), eV:	-8.98(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[[(2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C\C(CC1=CC=C(C=C1)C2=CC=CC=C2)N)/C

DOS

IR

Vibrations