Geometry & MOs

Info

ID:

49247

PubChem CID:

11532325

Reduced:

ClF3N6H14C21 (1)

Stoich.:

AB3C6D14E21 (1)

Weight, g/mol:

443.151492

ΔHf, kcal/mol:

-25.7

Dipole, Da:

6.13

IP(EA), eV:

 -9.08(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3,4-dihydroxyphenyl)methyl]-4-[(2,2-dioxo-1,3-dihydro-2lambda6,1,3-benzothiadiazol-5-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one

Drug info:

PubChemData

Smile

C1=CC2=C(N=C1)N(C=N2)CC3=CC=C(C=C3)NC4=NC5=C(N4)C=C(C=C5Cl)C(F)(F)F

DOS

IR

Vibrations