Geometry & MOs

Info

ID:	397703
PubChem CID:	135030596
Reduced:	YC8H10 (1)
Stoich.:	AB8C10 (1)
Weight, g/mol:	785.31237
ΔH_f, kcal/mol:	82.88
Dipole, Da:	3.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.875345
Charge, e:	1

Chem-info

IUPAC name:

(2S,5R)-2-[2-(4-methoxyphenyl)-3-(trifluoromethyl)thiolan-1-ium-1-yl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

Drug info:

PubChemData

Smile

[CH-]=CC1=[C-]CCCC1.[Y]

DOS

IR

Vibrations