Geometry & MOs

Info

ID:

228551

PubChem CID:

87565266

Reduced:

PN7O9C25H36 (1)

Stoich.:

AB7C9D25E36 (1)

Weight, g/mol:

466.026932

ΔHf, kcal/mol:

-256.84

Dipole, Da:

6.46

IP(EA), eV:

 -8.76(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(2,4-dichlorophenyl)-1-[[1-(4-methylphenyl)-2-sulfamoylethylidene]amino]pyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1C23CN(C(=C2)NN(C3=NC=N1)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OC(=O)[C@H](C(C)C)N(C5=CC=CC=C5)OC)O)O)N

DOS

IR

Vibrations