Geometry & MOs

Info

ID:	232905
PubChem CID:	87577557
Reduced:	SN2Cl3O9C26H27 (1)
Stoich.:	AB2C3D9E26F27 (1)
Weight, g/mol:	412.274247
ΔH_f, kcal/mol:	-353.71
Dipole, Da:	7.35
IP(EA), eV:	-9.13(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-hydroxy-3,5-bis(3-methylpentan-3-yl)phenyl]pentan-3-ylphosphonic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COCC3CCCO3.C1=C(C(=C(N=C1Cl)C(=O)O)Cl)N

DOS

IR

Vibrations