Geometry & MOs

Info

ID:	38328
PubChem CID:	8030479
Reduced:	ClNO5H18C20 (1)
Stoich.:	ABC5D18E20 (1)
Weight, g/mol:	295.084458
ΔH_f, kcal/mol:	-153.02
Dipole, Da:	4.2
IP(EA), eV:	-9.28(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]indole-2,3-dione

Drug info:

PubChemData

Smile

CC[C@@H]1C(=O)N(C(=O)C2=CC=CC=C2O1)CC(=O)C3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations