Geometry & MOs

Info

ID:

302909

PubChem CID:

124403644

Reduced:

N3O4H19C25 (1)

Stoich.:

A3B4C19D25 (1)

Weight, g/mol:

482.164185

ΔHf, kcal/mol:

-31.48

Dipole, Da:

4.25

IP(EA), eV:

 -8.8(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (1'S,2'R,3R,3'aR)-2'-(4-fluorobenzoyl)-2-oxospiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-1'-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H]4C=C(C=CN4[C@@H]([C@H]3C2=O)C(=O)C5=CC=CC=C5)C#N

DOS

IR

Vibrations