Geometry & MOs

Info

ID:	414233
PubChem CID:	135087189
Reduced:	N2O2F5H13C19 (1)
Stoich.:	A2B2C5D13E19 (1)
Weight, g/mol:	237.028206
ΔH_f, kcal/mol:	-199.85
Dipole, Da:	3.4
IP(EA), eV:	-8.54(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-methylspiro[1,3-dithiolane-2,3'-indole]-2'-one

Drug info:

PubChemData

Smile

CC(=NOC(=O)C1=C(C(=C(C(=C1F)F)F)F)F)CCC2=CNC3=CC=CC=C32

DOS

IR

Vibrations