Geometry & MOs

Info

ID:	178101
PubChem CID:	76277521
Reduced:	Cl2N2O5C20H20 (1)
Stoich.:	A2B2C5D20E20 (1)
Weight, g/mol:	407.205636
ΔH_f, kcal/mol:	-161.9
Dipole, Da:	4.15
IP(EA), eV:	-9.9(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoate

Drug info:

PubChemData

Smile

CC(C(=O)OCC(=O)NC(C1CC1)C2CC2)N3C(=O)C4=CC(=C(C=C4C3=O)Cl)Cl

DOS

IR

Vibrations