Geometry & MOs

Info

ID:	441989
PubChem CID:	135247481
Reduced:	FN2S2O6C17H17 (1)
Stoich.:	AB2C2D6E17F17 (1)
Weight, g/mol:	554.320766
ΔH_f, kcal/mol:	-243.89
Dipole, Da:	4.53
IP(EA), eV:	-8.65(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]-2-ethylphenyl]-5-[3-(hydroxymethyl)but-3-enoxy]phenoxy]-2-methylidenebutan-1-ol

Drug info:

PubChemData

Smile

CC1(C(=O)N(C2=C(O1)C=C(C=C2)N(S(=O)O)S(=O)(=O)C)C3=CC=C(C=C3)F)C

DOS

IR

Vibrations