Geometry & MOs

Info

ID:	334711
PubChem CID:	127253386
Reduced:	ClSN3O6C23H26 (1)
Stoich.:	ABC3D6E23F26 (1)
Weight, g/mol:	480.14337
ΔH_f, kcal/mol:	-150.26
Dipole, Da:	6.15
IP(EA), eV:	-8.82(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethoxy-6-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]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)NC(CCSC)C4=NC(=NO4)C

DOS

IR

Vibrations