Geometry & MOs

Info

ID:	335942
PubChem CID:	127254949
Reduced:	ClSO2N4H17C19 (1)
Stoich.:	ABC2D4E17F19 (1)
Weight, g/mol:	592.07978
ΔH_f, kcal/mol:	-8.31
Dipole, Da:	5.35
IP(EA), eV:	-8.9(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2=CC(=C(C=C2NC1=O)Cl)C3=CSC(=N3)NC(=O)CCCN4C=CC=C4

DOS

IR

Vibrations