Geometry & MOs

Info

ID:	297555
PubChem CID:	117621311
Reduced:	SF2O3N5H21C25 (1)
Stoich.:	AB2C3D5E21F25 (1)
Weight, g/mol:	497.122084
ΔH_f, kcal/mol:	-57.92
Dipole, Da:	1.97
IP(EA), eV:	-9.41(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfonyl]piperidin-4-yl]-2-phenylbenzimidazole

Drug info:

PubChemData

Smile

CC1=NOC2=C1C=C(C=C2)S(=O)(=O)N3CCC(CC3)N4C5=C(C=CC=N5)N=C4C6=C(C=C(C=C6)F)F

DOS

IR

Vibrations