Geometry & MOs

Info

ID:	64406
PubChem CID:	29199837
Reduced:	SO2N3C25H29 (1)
Stoich.:	AB2C3D25E29 (1)
Weight, g/mol:	478.185235
ΔH_f, kcal/mol:	-52.9
Dipole, Da:	3.04
IP(EA), eV:	-9.17(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@H]1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2[C@@H](C)C4=CC=CC=C4

DOS

IR

Vibrations