Geometry & MOs

Info

ID:	12923
PubChem CID:	148412
Reduced:	ClSN3O3C20H20 (1)
Stoich.:	ABC3D3E20F20 (1)
Weight, g/mol:	417.09139
ΔH_f, kcal/mol:	-51.58
Dipole, Da:	3.45
IP(EA), eV:	-8.43(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-1-[4-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazol-2-yl]-1-methylurea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C2=CSC(=N2)N(C)C(=O)NC3=CC=C(C=C3)Cl)OC)OC

DOS

IR

Vibrations