Geometry & MOs

Info

ID:	406148
PubChem CID:	135076717
Reduced:	BrClSO3H12C14 (1)
Stoich.:	ABCD3E12F14 (1)
Weight, g/mol:	438.14765
ΔH_f, kcal/mol:	-93.81
Dipole, Da:	6.61
IP(EA), eV:	-8.94(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6,6-bis[(4-methylphenyl)methyl]cyclohexen-1-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C(=C2)C)Cl)Br

DOS

IR

Vibrations