Geometry & MOs

Info

ID:	242488
PubChem CID:	96107410
Reduced:	N2O4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	264.111007
ΔH_f, kcal/mol:	-138.79
Dipole, Da:	4.86
IP(EA), eV:	-8.67(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[5-hydroxy-2-[(1R)-1-hydroxyethyl]benzimidazol-1-yl]propanoate

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=C(N1[C@@H](C)C(=O)OC)C=CC(=C2)O)O

DOS

IR

Vibrations