Geometry & MOs

Info

ID:	306194
PubChem CID:	125002522
Reduced:	OSN4H14C15 (1)
Stoich.:	ABC4D14E15 (1)
Weight, g/mol:	417.168856
ΔH_f, kcal/mol:	55.98
Dipole, Da:	8.37
IP(EA), eV:	-8.77(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]furan-2-yl]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

C1CN(C[C@H]1C2=C3N(C=CS3)C=N2)C(=O)C4=CC=NC=C4

DOS

IR

Vibrations