Geometry & MOs

Info

ID:	165673
PubChem CID:	74582678
Reduced:	NS2O4C24H26 (1)
Stoich.:	AB2C4D24E26 (1)
Weight, g/mol:	259.013652
ΔH_f, kcal/mol:	-47.33
Dipole, Da:	4.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756149
Charge, e:	-3

Chem-info

IUPAC name:

hydroxy-[pentoxy(phosphonato)methyl]phosphinate

Drug info:

PubChemData

Smile

CCCCCCOC1=CC=C(C=C1)OCCOC2=CC=CC(=C2)C=C3C(=NC(=S)S3)[O-]

DOS

IR

Vibrations