Geometry & MOs

Info

ID:	334292
PubChem CID:	127252844
Reduced:	ClSN2O7C20H25 (1)
Stoich.:	ABC2D7E20F25 (1)
Weight, g/mol:	415.153206
ΔH_f, kcal/mol:	-248.37
Dipole, Da:	6.21
IP(EA), eV:	-8.91(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethoxy-6-[2-(3-methylpyrazol-1-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)NCCS(=O)(=O)N(C)C

DOS

IR

Vibrations