Geometry & MOs

Info

ID:

14783

PubChem CID:

420714

Reduced:

FCl2S3N5O9H20C23 (1)

Stoich.:

AB2C3D5E9F20G23 (1)

Weight, g/mol:

694.978424

ΔHf, kcal/mol:

-312.47

Dipole, Da:

3.51

IP(EA), eV:

 -9.02(-1.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]sulfamoyl]benzenesulfonyl fluoride;sulfuric acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)F)OCC3=C(C(=NC(=N3)N)N)C4=CC(=C(C=C4)Cl)Cl.OS(=O)(=O)O

DOS

IR

Vibrations