Geometry & MOs

Info

ID:	267973
PubChem CID:	103592387
Reduced:	FN2O2S2C13H17 (1)
Stoich.:	AB2C2D2E13F17 (1)
Weight, g/mol:	296.110711
ΔH_f, kcal/mol:	-105.51
Dipole, Da:	8.85
IP(EA), eV:	-8.07(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(5-fluoro-6-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)ethyl]-1,1-dimethylurea

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1F)NC(=S)N2CC(C)(C)S(=O)(=O)C

DOS

IR

Vibrations