Geometry & MOs

Info

ID:	302498
PubChem CID:	124361968
Reduced:	BrNO3H20C22 (1)
Stoich.:	ABC3D20E22 (1)
Weight, g/mol:	452.153621
ΔH_f, kcal/mol:	-59.55
Dipole, Da:	3.08
IP(EA), eV:	-8.52(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'S,2'R,3R,3'aS)-1'-acetyl-2'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1C[C@H](N2[C@@H]1C=CC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)Br

DOS

IR

Vibrations