Geometry & MOs

Info

ID:	137732
PubChem CID:	52255033
Reduced:	O2N4H20C23 (1)
Stoich.:	A2B4C20D23 (1)
Weight, g/mol:	408.179755
ΔH_f, kcal/mol:	14.53
Dipole, Da:	7.62
IP(EA), eV:	-8.97(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations