Geometry & MOs

Info

ID:

164425

PubChem CID:

74398740

Reduced:

S2F4N6O9H32C33 (1)

Stoich.:

A2B4C6D9E32F33 (1)

Weight, g/mol:

545.176661

ΔHf, kcal/mol:

-421.68

Dipole, Da:

7.02

IP(EA), eV:

 -9.38(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[1-[[4-(1,2-dihydroxyoctyl)phenyl]methyl]triazol-4-yl]methoxy]-1,3-benzothiazole-2-sulfonamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(C(=O)O)NC(=O)C(CC2=CC=C(C=C2)OCC(C(CF)O)O)N3C=C(N=N3)COC4=CC5=C(C=C4)N=C(S5)S(=O)(=O)N)C(F)(F)F

DOS

IR

Vibrations