Geometry & MOs

Info

ID:	370001
PubChem CID:	127337092
Reduced:	FSN3O4C15H20 (1)
Stoich.:	ABC3D4E15F20 (1)
Weight, g/mol:	363.172896
ΔH_f, kcal/mol:	-164.0
Dipole, Da:	9.81
IP(EA), eV:	-9.14(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)urea

Drug info:

PubChemData

Smile

CN(C1CC1)C(=O)NC2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations