Geometry & MOs

Info

ID:	128624
PubChem CID:	51052392
Reduced:	O2S2N4C13H18 (1)
Stoich.:	A2B2C4D13E18 (1)
Weight, g/mol:	588.10486
ΔH_f, kcal/mol:	-64.34
Dipole, Da:	6.55
IP(EA), eV:	-9.05(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NC3=NC=CS3)NC(=O)N2

DOS

IR

Vibrations