Geometry & MOs

Info

ID:

335866

PubChem CID:

127254728

Reduced:

O2F3N3C22H24 (1)

Stoich.:

A2B3C3D22E24 (1)

Weight, g/mol:

596.267508

ΔHf, kcal/mol:

-201.84

Dipole, Da:

9.85

IP(EA), eV:

 -8.74(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1'S,2'S,3R,3'aR)-1'-(3-methoxybenzoyl)-5'-methyl-2'-[4-(2-methylpropyl)benzoyl]spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

Drug info:

PubChemData

Smile

C1CN(CC2=C1NC3=C2C=C(C=C3)OC(F)(F)F)C(=O)CCCCCN4C=CC=C4

DOS

IR

Vibrations