Geometry & MOs

Info

ID:	186017
PubChem CID:	77380334
Reduced:	NPO4C16H30 (1)
Stoich.:	ABC4D16E30 (1)
Weight, g/mol:	437.189314
ΔH_f, kcal/mol:	-222.85
Dipole, Da:	3.44
IP(EA), eV:	-9.9(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3-carboxy-2-hydroxypropyl)-[2-[2-(4-fluorophenyl)-4,4,6,6-tetramethylcyclohexen-1-yl]prop-2-enoxy]-oxophosphanium

Drug info:

PubChemData

Smile

CCCCCC(N)OC(=O)C(=CC1CCCCC1)COP=O

DOS

IR

Vibrations