Geometry & MOs

Info

ID:

302899

PubChem CID:

124403622

Reduced:

N2O5H24C29 (1)

Stoich.:

A2B5C24D29 (1)

Weight, g/mol:

452.153621

ΔHf, kcal/mol:

-94.57

Dipole, Da:

4.99

IP(EA), eV:

 -8.52(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1'S,2'R,3R,3'aR)-1'-acetyl-2'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)[C@@H]2[C@H]3[C@@H]([C@@H]4N2C5=CC=CC=C5C=C4)C(=O)N(C3=O)C6=CC=C(C=C6)OC

DOS

IR

Vibrations