Geometry & MOs

Info

ID:

334718

PubChem CID:

127253393

Reduced:

ClN5O9H34C35 (1)

Stoich.:

AB5C9D34E35 (1)

Weight, g/mol:

531.298473

ΔHf, kcal/mol:

-252.17

Dipole, Da:

8.55

IP(EA), eV:

 -8.4(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[3-(2,2-dimethyloxan-4-yl)-6-methylheptyl]-3,4-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C(C3=C(N2)N(C(=O)N(C3=O)C)C)C4=CC(=C(C=C4)OCC5=NC=CN5C)OC)C(=O)[C@]16C(=O)C7=C(O6)C(=C(C=C7OC)OC)Cl

DOS

IR

Vibrations