Geometry & MOs

Info

ID:	170476
PubChem CID:	75238774
Reduced:	BrCl4O8H23C32 (1)
Stoich.:	AB4C8D23E32 (1)
Weight, g/mol:	322.06551
ΔH_f, kcal/mol:	-244.99
Dipole, Da:	3.29
IP(EA), eV:	-9.05(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-3-(2-chlorophenyl)urea

Drug info:

PubChemData

Smile

C1C=C(CC2=CC(=C(C(=C2)O)OC3=C(C=C(C(=C3)CC=C(CC4=CC(=C(C(=C4Br)O)OC5=C(C=C(C1=C5)O)Cl)O)Cl)O)Cl)O)Cl

DOS

IR

Vibrations