Geometry & MOs

Info

ID:	299517
PubChem CID:	117687183
Reduced:	OH8F14C24 (1)
Stoich.:	AB8C14D24 (1)
Weight, g/mol:	400.170831
ΔH_f, kcal/mol:	-635.7
Dipole, Da:	1.63
IP(EA), eV:	-9.68(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibenzyl 2-(tert-butylsulfanylmethyl)-2-methylpropanedioate

Drug info:

PubChemData

Smile

CC1=C(C=C2C(=C1C3=C4C(=CC(=C3OC)C(F)(F)F)C(=C(C(=C4F)F)F)F)C(=C(C(=C2F)F)F)F)C(F)(F)F

DOS

IR

Vibrations