Geometry & MOs

Info

ID:	242486
PubChem CID:	96107397
Reduced:	FN2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	278.126657
ΔH_f, kcal/mol:	-151.68
Dipole, Da:	4.9
IP(EA), eV:	-9.12(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[2-[(1S)-1-hydroxyethyl]-5-methoxybenzimidazol-1-yl]propanoate

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=C(N1CCCC(=O)O)C=CC(=C2)F)O

DOS

IR

Vibrations