Geometry & MOs

Info

ID:	336070
PubChem CID:	127255077
Reduced:	SO2N3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	604.09977
ΔH_f, kcal/mol:	-17.44
Dipole, Da:	6.51
IP(EA), eV:	-8.62(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=C2CSCC2=N1)NC(=O)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations