Geometry & MOs

Info

ID:	379507
PubChem CID:	134437865
Reduced:	OF6H20C29 (1)
Stoich.:	AB6C20D29 (1)
Weight, g/mol:	256.059172
ΔH_f, kcal/mol:	-253.78
Dipole, Da:	8.4
IP(EA), eV:	-9.07(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 4-(disulfanyl)-2-methylbenzoate

Drug info:

PubChemData

Smile

CC1CC2=C(C1)C=C(C=C2)C3=CC=C(C=C3)C4=CC(=C(C=C4)C(OC5=CC(=C(C(=C5)F)F)F)(F)F)F

DOS

IR

Vibrations