Geometry & MOs

Info

ID:

149046

PubChem CID:

53788717

Reduced:

NO3H13C16 (1)

Stoich.:

AB3C13D16 (1)

Weight, g/mol:

1309.410561

ΔHf, kcal/mol:

-65.48

Dipole, Da:

4.05

IP(EA), eV:

 -8.76(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2,4-dimethoxy-5-methylphenyl) N-[4-acetyl-2-(trifluoromethyl)anilino]sulfamate;2-(2,4-dimethylphenoxy)-N-[4-methoxy-3-(4-methylanilino)sulfinamoyloxyphenyl]propanamide;1-[(2,4-dimethylphenoxy)methyl]-3-[4-(2-methylsulfonylhydrazinyl)phenyl]urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)C2=CNC3=C2C=C(C=C3)O

DOS

IR

Vibrations