Geometry & MOs

Info

ID:	336331
PubChem CID:	127255338
Reduced:	N3O4H17C18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	593.140529
ΔH_f, kcal/mol:	-41.72
Dipole, Da:	2.34
IP(EA), eV:	-8.5(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N(/C(=C\2/C=CC(=O)C(=C2)OC)/N1)O)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations