Geometry & MOs

Info

ID:	221677
PubChem CID:	85285891
Reduced:	SCl2N2O4H28C30 (1)
Stoich.:	AB2C2D4E28F30 (1)
Weight, g/mol:	583.202859
ΔH_f, kcal/mol:	-75.83
Dipole, Da:	3.66
IP(EA), eV:	-8.32(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-sulfanylidenepyridin-1-yl) 2-[3,4,5-tris(phenylmethoxy)-7-oxabicyclo[4.1.0]heptan-2-yl]acetate

Drug info:

PubChemData

Smile

CC1=NC2=C(C3=C(S2)C(CC(=C3)C=CC4=CC(=C(C(=C4)OC)OC)OC)(C)C)C(=O)N1C5=C(C=CC(=C5)Cl)Cl

DOS

IR

Vibrations