Geometry & MOs

Info

ID:

225073

PubChem CID:

85737937

Reduced:

Cl2N2H7C12 (1)

Stoich.:

A2B2C7D12 (1)

Weight, g/mol:

284.083078

ΔHf, kcal/mol:

85.73

Dipole, Da:

2.93

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.976247

Charge, e:

 0

Chem-info

IUPAC name:

1-(4-acetylphenyl)sulfonyl-3-propan-2-ylurea

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C(C=C(C=C2)Cl)[N+]#N)Cl

DOS

IR

Vibrations