Geometry & MOs

Info

ID:	146945
PubChem CID:	53775619
Reduced:	OF4C5H8 (1)
Stoich.:	AB4C5D8 (1)
Weight, g/mol:	371.10704
ΔH_f, kcal/mol:	-264.5
Dipole, Da:	1.89
IP(EA), eV:	-10.71(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R)-2-[5-chloro-6-methylsulfanyl-2-(propan-2-ylamino)benzimidazol-1-yl]-5-methyloxolane-3,4-diol

Drug info:

PubChemData

Smile

C(COCC(F)(F)F)CF

DOS

IR

Vibrations