Geometry & MOs

Info

ID:	328571
PubChem CID:	126725280
Reduced:	O4F5C27H31 (1)
Stoich.:	A4B5C27D31 (1)
Weight, g/mol:	654.258007
ΔH_f, kcal/mol:	-428.95
Dipole, Da:	7.13
IP(EA), eV:	-9.43(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]phenyl]cyclohexyl]-5-methyl-5-pentyl-1,3-dioxan-2-ol

Drug info:

PubChemData

Smile

CCCC1(COC(OC1)(C2CCC(CC2)C(OC3=CC(=C(C=C3)C4=CC(=C(C=C4)F)F)F)(F)F)O)C

DOS

IR

Vibrations