Geometry & MOs

Info

ID:	38722
PubChem CID:	8137820
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	398.130028
ΔH_f, kcal/mol:	-72.17
Dipole, Da:	6.31
IP(EA), eV:	-9.06(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-phenylsulfanylpropanoate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC(=CC=C2)OC)C)CCC(=O)NCC(=O)NC3CC3

DOS

IR

Vibrations