Geometry & MOs

Info

ID:	334776
PubChem CID:	127253451
Reduced:	ClSN3O5C23H26 (1)
Stoich.:	ABC3D5E23F26 (1)
Weight, g/mol:	479.184506
ΔH_f, kcal/mol:	-148.22
Dipole, Da:	6.03
IP(EA), eV:	-8.61(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethoxy-6-[3-(1-methylbenzimidazol-2-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCCSCC4=C(NC=N4)C

DOS

IR

Vibrations