Geometry & MOs

Info

ID:	128013
PubChem CID:	51026538
Reduced:	NSeO4C17H21 (1)
Stoich.:	ABC4D17E21 (1)
Weight, g/mol:	426.068847
ΔH_f, kcal/mol:	-145.91
Dipole, Da:	2.0
IP(EA), eV:	-8.8(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,8R)-16-(1,1,2,2,3,3,4,4-octafluorobutyl)-15-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaene

Drug info:

PubChemData

Smile

CCOC(=O)N1[C@@H]2CC[C@H]1[C@H]([C@@H]2C(=O)OC)[Se]C3=CC=CC=C3

DOS

IR

Vibrations