Geometry & MOs

Info

ID:	137652
PubChem CID:	52241058
Reduced:	SO2N6C24H26 (1)
Stoich.:	AB2C6D24E26 (1)
Weight, g/mol:	426.179087
ΔH_f, kcal/mol:	36.32
Dipole, Da:	4.04
IP(EA), eV:	-8.38(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(2R)-3-(3-acetylphenoxy)-2-hydroxypropyl]-1-ethyl-2-oxobenzimidazole-5-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)/C=C/1\C(C2=CC=CC=C2N1C)(C)C)SC3=NN=NN3C4=CC=CC(=C4)NC(=O)C

DOS

IR

Vibrations