Geometry & MOs

Info

ID:

220659

PubChem CID:

85201708

Reduced:

SF3N6O8C18H23 (1)

Stoich.:

AB3C6D8E18F23 (1)

Weight, g/mol:

539.0119

ΔHf, kcal/mol:

-459.83

Dipole, Da:

7.15

IP(EA), eV:

 -9.45(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[2-[2-(2-bromoethynyl)-4-methyl-5H-1,3-thiazol-4-yl]-4-methyl-5H-1,3-thiazol-4-yl]-4-methyl-5H-1,3-thiazol-4-yl]-N,5-dimethyl-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)[NH2+]CCCC2C(=O)NC(C(=O)N2)CC(=O)O)N=C(N)N.C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations