Geometry & MOs

Info

ID:	166783
PubChem CID:	74733496
Reduced:	ClO2N5C29H29 (1)
Stoich.:	AB2C5D29E29 (1)
Weight, g/mol:	409.155218
ΔH_f, kcal/mol:	27.25
Dipole, Da:	2.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.856842
Charge, e:	-1

Chem-info

IUPAC name:

2-[1-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3-oxo-1H-isoindol-2-yl]acetate

Drug info:

PubChemData

Smile

CN1C(=O)C2C(=[N+](C1=O)C)N=C(N2CC3=CC=CC=C3Cl)CN(CC4=CC=CC=C4)CC5=CC=CC=C5

DOS

IR

Vibrations