Geometry & MOs

Info

ID:	46464
PubChem CID:	10524521
Reduced:	ClN3O5C18H18 (1)
Stoich.:	AB3C5D18E18 (1)
Weight, g/mol:	391.91942
ΔH_f, kcal/mol:	-102.94
Dipole, Da:	6.59
IP(EA), eV:	-9.18(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,5R)-5-(4,6-dibromobenzimidazol-1-yl)-2-(hydroxymethyl)oxolan-3-ol

Drug info:

PubChemData

Smile

CC1=C(C(C(=C(N1)C)C(=O)OCCCl)C2=CC=CC3=NON=C32)C(=O)OC

DOS

IR

Vibrations