Geometry & MOs

Info

ID:	148989
PubChem CID:	53788660
Reduced:	OSCl2F3H5C12 (1)
Stoich.:	ABC2D3E5F12 (1)
Weight, g/mol:	394.323566
ΔH_f, kcal/mol:	-165.32
Dipole, Da:	1.26
IP(EA), eV:	-9.79(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-tert-butyl-4,4-dimethyl-1-phenylmethoxynonan-2-yl)benzene

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C(SC(=C2)C(=O)Cl)C(F)(F)F)Cl

DOS

IR

Vibrations