Geometry & MOs

Info

ID:	373341
PubChem CID:	131313460
Reduced:	SO4H10C11 (1)
Stoich.:	AB4C10D11 (1)
Weight, g/mol:	238.041213
ΔH_f, kcal/mol:	-133.38
Dipole, Da:	5.58
IP(EA), eV:	-8.83(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-oxo-3,7-dihydrobenzimidazol-5-yl)sulfanyl]propanoic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CC(=C2S1)CC(=O)O)O

DOS

IR

Vibrations