Geometry & MOs

Info

ID:	336945
PubChem CID:	127255952
Reduced:	NO5C24H27 (1)
Stoich.:	AB5C24D27 (1)
Weight, g/mol:	409.188923
ΔH_f, kcal/mol:	-177.29
Dipole, Da:	6.13
IP(EA), eV:	-8.83(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-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@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)O)/C

DOS

IR

Vibrations