Geometry & MOs

Info

ID:	217871
PubChem CID:	85088518
Reduced:	ISO3C15H21 (1)
Stoich.:	ABC3D15E21 (1)
Weight, g/mol:	408.045471
ΔH_f, kcal/mol:	-102.88
Dipole, Da:	4.32
IP(EA), eV:	-9.48(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-methyloxiran-2-yl)-1-[(2,3,4,5,6-pentafluorophenoxy)carbothioyloxymethyl]bicyclo[3.1.0]hexan-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCC=CI

DOS

IR

Vibrations