Geometry & MOs

Info

ID:	32450
PubChem CID:	7836204
Reduced:	SN2O4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	411.179421
ΔH_f, kcal/mol:	-111.57
Dipole, Da:	2.98
IP(EA), eV:	-8.96(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(C)C)NC(=O)[C@H](C)OC(=O)CSC2=NC3=CC=CC=C3O2

DOS

IR

Vibrations