Geometry & MOs

Info

ID:

230626

PubChem CID:

87571510

Reduced:

ClS2N3O6C20H22 (1)

Stoich.:

AB2C3D6E20F22 (1)

Weight, g/mol:

915.098516

ΔHf, kcal/mol:

-171.63

Dipole, Da:

10.16

IP(EA), eV:

 -9.52(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-chloro-2-methyl-4-(5-methyl-5,6-dihydro-1,4,2-dioxazin-3-yl)pyrazol-3-yl]sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea;2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]cyclohexane-1,3-dione

Drug info:

PubChemData

Smile

C1CC1S(=O)(=O)C2=CC=C(C=C2)C(C(=O)NC3=NC(=C(S3)Cl)CC(=O)O)OC4CCNC4

DOS

IR

Vibrations