Geometry & MOs

Info

ID:	335610
PubChem CID:	127254472
Reduced:	OSN2C21H32 (1)
Stoich.:	ABC2D21E32 (1)
Weight, g/mol:	559.179501
ΔH_f, kcal/mol:	-58.17
Dipole, Da:	4.67
IP(EA), eV:	-8.58(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-(2,4-dimethoxyphenyl)-1-(4-fluorobenzoyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione

Drug info:

PubChemData

Smile

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)[C@@H](CCSC)N4C=CC=C4

DOS

IR

Vibrations