Geometry & MOs

Info

ID:	335840
PubChem CID:	127254702
Reduced:	F3O3N4C19H21 (1)
Stoich.:	A3B3C4D19E21 (1)
Weight, g/mol:	634.11033
ΔH_f, kcal/mol:	-255.76
Dipole, Da:	6.69
IP(EA), eV:	-9.15(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'R,2'S,3R)-1'-(4-bromobenzoyl)-2'-(2,5-dimethoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=O)N1CCC(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)O

DOS

IR

Vibrations