Geometry & MOs

Info

ID:	424652
PubChem CID:	135123484
Reduced:	SF3N4O4C32H35 (1)
Stoich.:	AB3C4D4E32F35 (1)
Weight, g/mol:	232.084792
ΔH_f, kcal/mol:	-244.58
Dipole, Da:	6.25
IP(EA), eV:	-9.22(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)[C@H](C3=CC(=C(C=C3)C)CN4C[C@H](CC5=C(S4(=O)=O)C=CC(=C5)C(F)(F)F)C)[C@@H](C)C(=O)O)C)N=N1

DOS

IR

Vibrations