Geometry & MOs

Info

ID:	149872
PubChem CID:	53789551
Reduced:	FNO4C27H30 (1)
Stoich.:	ABC4D27E30 (1)
Weight, g/mol:	474.079776
ΔH_f, kcal/mol:	-181.29
Dipole, Da:	2.97
IP(EA), eV:	-9.41(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-chloro-2-ethoxy-3,4-diethylphenyl)sulfanyloxy-hydroxyphosphoryl]pentan-3-ylphosphonic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1C(C(=C(N=C1C(C)C)CC2=CC=CC=C2)C(=O)OCC)C3=CC=C(C=C3)F

DOS

IR

Vibrations