Geometry & MOs

Info

ID:

148019

PubChem CID:

53787681

Reduced:

ClF3N3O7H17C21 (1)

Stoich.:

AB3C3D7E17F21 (1)

Weight, g/mol:

568.264331

ΔHf, kcal/mol:

-316.45

Dipole, Da:

6.11

IP(EA), eV:

 -9.23(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2,5-difluoro-4-methylphenyl)methoxy]-5-[7-[4-(2-hydroxyethyl)piperazin-1-yl]heptylcarbamoylamino]-1,2-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2=C(C1=NNC(=O)N(C3=CC=C(C=C3)OC(F)(F)F)C(=O)OC)C=CC(=C2)Cl)C(=O)OO

DOS

IR

Vibrations