Geometry & MOs

Info

ID:	226341
PubChem CID:	87350446
Reduced:	NPC3O6H8 (1)
Stoich.:	ABC3D6E8 (1)
Weight, g/mol:	346.12388
ΔH_f, kcal/mol:	-332.84
Dipole, Da:	1.88
IP(EA), eV:	-10.93(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-4-hydroxy-4-sulfanylbutanoic acid

Drug info:

PubChemData

Smile

C(C(C(=O)NP(=O)(O)O)O)O

DOS

IR

Vibrations