Geometry & MOs

Info

ID:	149381
PubChem CID:	53789053
Reduced:	O3C4H7 (2)
Stoich.:	A3B4C7 (2)
Weight, g/mol:	396.191013
ΔH_f, kcal/mol:	-167.31
Dipole, Da:	7.96
IP(EA), eV:	-10.46(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-pentafluoro-lambda6-sulfane

Drug info:

PubChemData

Smile

CC(C)(C)OOOC(=O)CCC(=O)O

DOS

IR

Vibrations