Geometry & MOs

Info

ID:	335542
PubChem CID:	127254404
Reduced:	OF3N8C13H17 (1)
Stoich.:	AB3C8D13E17 (1)
Weight, g/mol:	604.09977
ΔH_f, kcal/mol:	-76.7
Dipole, Da:	6.44
IP(EA), eV:	-10.85(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N1CCN2C(=NN=C2C(F)(F)F)C1)N3C=NN=N3

DOS

IR

Vibrations