Geometry & MOs

Info

ID:	229564
PubChem CID:	87568033
Reduced:	NOSH13C15 (1)
Stoich.:	ABCD13E15 (1)
Weight, g/mol:	326.104812
ΔH_f, kcal/mol:	27.8
Dipole, Da:	4.68
IP(EA), eV:	-8.32(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dicyclohexyloxyphosphorylphosphonic acid

Drug info:

PubChemData

Smile

CN1C(SC2=CC=CC=C21)C3=CC=CC(=C3)C=O

DOS

IR

Vibrations