Geometry & MOs

Info

ID:	334501
PubChem CID:	127253176
Reduced:	O7H26C34 (1)
Stoich.:	A7B26C34 (1)
Weight, g/mol:	307.0667
ΔH_f, kcal/mol:	-176.98
Dipole, Da:	6.8
IP(EA), eV:	-8.79(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-sulfanylethyl)indeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2)CCOC3=CC=CC=C3C4CC(=O)OC5=C4C6=C(C(=C5)O)C(=O)C(=CO6)C7=CC=CC=C7

DOS

IR

Vibrations