Geometry & MOs

Info

ID:	26418
PubChem CID:	647239
Reduced:	S2O3N5C17H21 (1)
Stoich.:	A2B3C5D17E21 (1)
Weight, g/mol:	417.115855
ΔH_f, kcal/mol:	-73.26
Dipole, Da:	2.82
IP(EA), eV:	-9.18(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-5-fluorobenzimidazole

Drug info:

PubChemData

Smile

CCCN1C2=C(N=C1SCC(=O)NCC3=CC=CS3)N(C(=O)N(C2=O)C)C

DOS

IR

Vibrations