Geometry & MOs

Info

ID:	383568
PubChem CID:	134975359
Reduced:	NPSO5C24H29 (1)
Stoich.:	ABCD5E24F29 (1)
Weight, g/mol:	474.150406
ΔH_f, kcal/mol:	-175.22
Dipole, Da:	7.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764130
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCO[P+]([C@H](CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C)([C@H](C3=CC=CC=C3)O)O

DOS

IR

Vibrations