Geometry & MOs

Info

ID:	165648
PubChem CID:	74579870
Reduced:	NS2O3H10C17 (1)
Stoich.:	AB2C3D10E17 (1)
Weight, g/mol:	269.094271
ΔH_f, kcal/mol:	20.86
Dipole, Da:	5.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755928
Charge, e:	-1

Chem-info

IUPAC name:

(2-hydroxycyclohexyl)-[hydroxy(phenyl)methyl]phosphinate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C3C(=NC(=S)S3)[O-]

DOS

IR

Vibrations