Geometry & MOs

Info

ID:	318700
PubChem CID:	126652768
Reduced:	SO2F3C10H11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	855.274851
ΔH_f, kcal/mol:	-233.18
Dipole, Da:	3.38
IP(EA), eV:	-9.27(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ditert-butyl [4-[(3R)-3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]butoxy]-2-fluoro-6-methylsulfonylphenyl]methyl phosphate

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)O)SC)(C(F)(F)F)O

DOS

IR

Vibrations