Geometry & MOs

Info

ID:	384666
PubChem CID:	134977425
Reduced:	PO2C13H27 (1)
Stoich.:	AB2C13D27 (1)
Weight, g/mol:	479.095631
ΔH_f, kcal/mol:	-159.51
Dipole, Da:	4.89
IP(EA), eV:	-9.38(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-hydroxyphenyl)-3,3-diphenyl-1,2-dihydro-1,3lambda5-benzazaphosphol-3-yl] hydrogen sulfate

Drug info:

PubChemData

Smile

CCCCP(=O)(CCCC)C(/C=C/CC)O

DOS

IR

Vibrations