Geometry & MOs

Info

ID:	302907
PubChem CID:	124403641
Reduced:	ClN2F3O3C18H20 (1)
Stoich.:	AB2C3D3E18F20 (1)
Weight, g/mol:	468.12407
ΔH_f, kcal/mol:	-287.07
Dipole, Da:	8.77
IP(EA), eV:	-9.5(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)CCO)[C@H]2CC(=O)N(C2=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations