Geometry & MOs

Info

ID:

124992

PubChem CID:

50906593

Reduced:

O13C28H40 (2)

Stoich.:

A13B28C40 (2)

Weight, g/mol:

310.148141

ΔHf, kcal/mol:

-1159.97

Dipole, Da:

2.95

IP(EA), eV:

 -8.88(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-ethyl-11-fluoro-3,3-dimethyl-4,7-dihydro-2H-indolo[2,3-c]quinolin-1-one

Drug info:

PubChemData

Smile

C/C=C/OC(=O)O[C@@H]1C[C@@H](O[C@@H]([C@H]1O)C)O[C@@H]2C[C@@H](O[C@@H]([C@H]2O)C)OC3=CC4=CC5=C(C(=O)[C@H]([C@@H](C5)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)O[C@H]6C[C@H]([C@@H]([C@H](O6)C)O)O[C@H]7C[C@H]([C@H]([C@H](O7)C)O)O[C@H]8C[C@]([C@@H]([C@H](O8)C)O)(C)O)C(=C4C(=C3C)O)O

DOS

IR

Vibrations