Geometry & MOs

Info

ID:	161280
PubChem CID:	57391238
Reduced:	NO7C20H21 (1)
Stoich.:	AB7C20D21 (1)
Weight, g/mol:	480.135508
ΔH_f, kcal/mol:	-179.89
Dipole, Da:	3.44
IP(EA), eV:	-7.79(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]phenyl]-3-(4-methylphenyl)sulfonylurea

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1/C=C\2/C(=O)C3=CC(=C(C(=C3O2)OC)OC)OC)N)OC

DOS

IR

Vibrations