Geometry & MOs

Info

ID:	242487
PubChem CID:	96107406
Reduced:	NO2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	264.111007
ΔH_f, kcal/mol:	-125.57
Dipole, Da:	2.89
IP(EA), eV:	-8.44(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[5-hydroxy-2-[(1S)-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)OC)O

DOS

IR

Vibrations