Geometry & MOs

Info

ID:	302741
PubChem CID:	124394118
Reduced:	ClNO2H10C13 (2)
Stoich.:	ABC2D10E13 (2)
Weight, g/mol:	434.168916
ΔH_f, kcal/mol:	29.64
Dipole, Da:	2.5
IP(EA), eV:	-9.26(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R,4R,5R,6S)-4,5-diacetyloxy-6-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)oxan-3-yl] acetate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OCC2=C(C=C(C=C2)Cl)Cl)CC=C)/C=C(/C#N)\C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations