Geometry & MOs

Info

ID:	343662
PubChem CID:	127266838
Reduced:	SF3N3O3C13H14 (1)
Stoich.:	AB3C3D3E13F14 (1)
Weight, g/mol:	313.055484
ΔH_f, kcal/mol:	-191.76
Dipole, Da:	3.65
IP(EA), eV:	-9.47(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-benzothiophen-3-ylsulfonylamino)ethyl]-3-methylurea

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CS(=O)(=O)NC(C)C2=NOC(=N2)C(F)(F)F

DOS

IR

Vibrations