Geometry & MOs

Info

ID:	62925
PubChem CID:	26737656
Reduced:	F3O3N6C23H24 (1)
Stoich.:	A3B3C6D23E24 (1)
Weight, g/mol:	388.145678
ΔH_f, kcal/mol:	-133.06
Dipole, Da:	29.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.996656
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-[2-[2-(4-ethoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]propane-1,2-diol

Drug info:

PubChemData

Smile

C[NH+]1CCN(CC1)C2=C(C=C3C4=C2OCN(N4C=C(C3=O)C(=O)NC5=CC(=C(C=C5N)F)F)C)F

DOS

IR

Vibrations