Geometry & MOs

Info

ID:	336327
PubChem CID:	127255334
Reduced:	F2N2O3H12C22 (1)
Stoich.:	A2B2C3D12E22 (1)
Weight, g/mol:	608.05023
ΔH_f, kcal/mol:	-92.51
Dipole, Da:	8.61
IP(EA), eV:	-8.82(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'R,2'S,3R)-2'-benzoyl-1'-(4-bromobenzoyl)-7'-chlorospiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(C(=O)O2)C3=C(N=C4N3C=CC=C4)C5=CC(=C(C=C5)F)F)O

DOS

IR

Vibrations