Geometry & MOs

Info

ID:

336099

PubChem CID:

127255106

Reduced:

N3O4H21C25 (1)

Stoich.:

A3B4C21D25 (1)

Weight, g/mol:

558.195486

ΔHf, kcal/mol:

-87.83

Dipole, Da:

1.1

IP(EA), eV:

 -8.98(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1'S,2'S,3R,3'aR)-2'-(2-fluorobenzoyl)-1'-(3-methoxybenzoyl)-5'-methylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CC(=O)NCCC5=CC=C(C=C5)O

DOS

IR

Vibrations