Geometry & MOs

Info

ID:

165213

PubChem CID:

74519245

Reduced:

Cl4N4O4H17C19 (1)

Stoich.:

A4B4C4D17E19 (1)

Weight, g/mol:

316.012996

ΔHf, kcal/mol:

-149.37

Dipole, Da:

3.87

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755155

Charge, e:

 0

Chem-info

IUPAC name:

1-(3,4-dichlorophenyl)-3-(2,6-dioxo-1,3-diazinan-4-yl)urea

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(=O)NCCCC(C(=O)[O-])NC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl)Cl

DOS

IR

Vibrations