Geometry & MOs

Info

ID:

302756

PubChem CID:

124394609

Reduced:

FNOCl4H12C22 (1)

Stoich.:

ABCD4E12F22 (1)

Weight, g/mol:

512.1139

ΔHf, kcal/mol:

-0.06

Dipole, Da:

2.31

IP(EA), eV:

 -9.71(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1'S,2'R,3R,3'aR)-1'-acetyl-2'-(1,3-benzodioxole-5-carbonyl)-7'-chlorospiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C(=C\C2=CC(=C(C(=C2)Cl)OCC3=C(C=C(C=C3)Cl)Cl)Cl)/C#N)F

DOS

IR

Vibrations