Geometry & MOs

Info

ID:	233339
PubChem CID:	89850275
Reduced:	SO2F10H20C22 (1)
Stoich.:	AB2C10D20E22 (1)
Weight, g/mol:	521.160104
ΔH_f, kcal/mol:	-547.65
Dipole, Da:	9.36
IP(EA), eV:	-10.23(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[(4-butylcyclohexyl)-difluoromethoxy]-2,6-difluorophenyl]-difluoromethoxy]-2,6-difluorobenzonitrile

Drug info:

PubChemData

Smile

C=CC1CCC(CC1)C(OC2=CC(=C(C=C2)C(OC3=CC=C(C=C3)S(F)(F)(F)(F)F)(F)F)F)(F)F

DOS

IR

Vibrations