Geometry & MOs

Info

ID:	394015
PubChem CID:	135022171
Reduced:	ClS2H19C22 (1)
Stoich.:	AB2C19D22 (1)
Weight, g/mol:	444.130203
ΔH_f, kcal/mol:	64.63
Dipole, Da:	2.78
IP(EA), eV:	-8.49(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,3S)-3-diphenylphosphoryl-2-hydroxycyclohexyl]oxy-4,5-difluorophenol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC(=CC2=CC(=CC=C2)Cl)SC3=CC=C(C=C3)C

DOS

IR

Vibrations