Geometry & MOs

Info

ID:	29553
PubChem CID:	835103
Reduced:	SN3O3C17H17 (1)
Stoich.:	AB3C3D17E17 (1)
Weight, g/mol:	345.040583
ΔH_f, kcal/mol:	-65.79
Dipole, Da:	12.0
IP(EA), eV:	-8.12(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2OC

DOS

IR

Vibrations