Geometry & MOs

Info

ID:	163506
PubChem CID:	58010083
Reduced:	ON5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	401.157326
ΔH_f, kcal/mol:	48.94
Dipole, Da:	6.67
IP(EA), eV:	-8.55(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-1-[2-(1,3-dioxolan-2-yl)ethyl]-5-(2-fluoropyridin-4-yl)sulfanylbenzimidazole

Drug info:

PubChemData

Smile

CC(C)(CCCC1=CCC(CC1)C2=NNC3=CN=C4C(=CC=N4)N32)O

DOS

IR

Vibrations