Geometry & MOs

Info

ID:	383567
PubChem CID:	134975358
Reduced:	ClO6C8H13 (1)
Stoich.:	AB6C8D13 (1)
Weight, g/mol:	474.150406
ΔH_f, kcal/mol:	-289.23
Dipole, Da:	3.93
IP(EA), eV:	-10.69(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethoxy-hydroxy-[(R)-hydroxy(phenyl)methyl]-[(1R)-1-[(4-methylphenyl)sulfonylamino]-2-phenylethyl]phosphanium

Drug info:

PubChemData

Smile

COC(=O)C1(CC(C(C(C1Cl)O)O)O)O

DOS

IR

Vibrations