Geometry & MOs

Info

ID:	336334
PubChem CID:	127255341
Reduced:	OSN6C18H22 (1)
Stoich.:	ABC6D18E22 (1)
Weight, g/mol:	593.140529
ΔH_f, kcal/mol:	63.64
Dipole, Da:	4.67
IP(EA), eV:	-9.11(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-1-(4-chlorobenzoyl)-2-(2,3-dimethoxyphenyl)-7-fluorospiro[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)N1CCCC1C2=NC3=CC=CC=C3S2)N4C=NN=N4

DOS

IR

Vibrations