Geometry & MOs

Info

ID:	36373
PubChem CID:	8004339
Reduced:	NO3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	352.142307
ΔH_f, kcal/mol:	-91.67
Dipole, Da:	1.72
IP(EA), eV:	-8.31(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3S)-2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]amino]-4-methylbenzoic acid

Drug info:

PubChemData

Smile

C[C@H](CNCC1=CC(=C(C=C1)OCC=C)OC)O

DOS

IR

Vibrations