Geometry & MOs

Info

ID:	336202
PubChem CID:	127255209
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	617.08379
ΔH_f, kcal/mol:	-64.1
Dipole, Da:	4.16
IP(EA), eV:	-8.42(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R)-1-benzoyl-2-(4-bromophenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-9-yl] acetate

Drug info:

PubChemData

Smile

CC(C)C(C1=CC(=C(C=C1)OC)OC)NC(=O)NCC2=NC3=CC=CC=C3N2C

DOS

IR

Vibrations