Geometry & MOs

Info

ID:	335144
PubChem CID:	127254005
Reduced:	N3O4H25C30 (1)
Stoich.:	A3B4C25D30 (1)
Weight, g/mol:	461.140927
ΔH_f, kcal/mol:	-75.41
Dipole, Da:	9.43
IP(EA), eV:	-8.82(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethoxy-6-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]indeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)C(=O)CCN4C5=C(C6=CC=CC=C6C4=O)C(=O)C7=CC=CC=C75

DOS

IR

Vibrations