Geometry & MOs

Info

ID:	335877
PubChem CID:	127254739
Reduced:	O3N5C18H25 (1)
Stoich.:	A3B5C18D25 (1)
Weight, g/mol:	551.109978
ΔH_f, kcal/mol:	-37.23
Dipole, Da:	7.31
IP(EA), eV:	-8.54(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-1-(4-chlorobenzoyl)-7-fluoro-2-(4-fluorophenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)N3C=NN=N3

DOS

IR

Vibrations