Geometry & MOs

Info

ID:	230825
PubChem CID:	87572087
Reduced:	ON3C11H23 (1)
Stoich.:	AB3C11D23 (1)
Weight, g/mol:	601.14813
ΔH_f, kcal/mol:	-11.07
Dipole, Da:	4.01
IP(EA), eV:	-8.96(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[6-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-1,3-benzothiazol-2-yl]urea

Drug info:

PubChemData

Smile

CN(CCO)CC(NCC=C)NCC=C

DOS

IR

Vibrations