Geometry & MOs

Info

ID:

440460

PubChem CID:

135230437

Reduced:

ISF2O2N8H17C23 (1)

Stoich.:

ABC2D2E8F17G23 (1)

Weight, g/mol:

666.13148

ΔHf, kcal/mol:

43.53

Dipole, Da:

9.76

IP(EA), eV:

 -9.1(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-5-[3-(1-methylimidazol-2-yl)-2-(pyridin-2-ylmethylsulfanyl)benzimidazol-5-yl]-1,3-thiazole

Drug info:

PubChemData

Smile

CN1C(=NN=N1)N2C3=C(C=CC(=C3)I)N=C2SCC4=NC(=CC=C4)NC(=O)C(OC5=CC=CC=C5)(F)F

DOS

IR

Vibrations