Geometry & MOs

Info

ID:	132152
PubChem CID:	51314364
Reduced:	FO2N5C20H22 (1)
Stoich.:	AB2C5D20E22 (1)
Weight, g/mol:	395.130363
ΔH_f, kcal/mol:	-75.48
Dipole, Da:	4.17
IP(EA), eV:	-8.87(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylidene-2-[1-oxo-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-2-yl]isoindol-1-one

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N1CCNC(=O)CNC(=O)NCC3=CC=C(C=C3)F

DOS

IR

Vibrations