Geometry & MOs

Info

ID:

225648

PubChem CID:

87219148

Reduced:

FSN3O5C31H38 (1)

Stoich.:

ABC3D5E31F38 (1)

Weight, g/mol:

530.142405

ΔHf, kcal/mol:

-222.43

Dipole, Da:

2.09

IP(EA), eV:

 -8.46(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N'-[4-[[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]oxy]-3-fluorophenyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide

Drug info:

PubChemData

Smile

CCC1=C(N(C(=N1)OCC)CC2=C(C=C(C=C2)C3=CC=CC=C3C(=O)OC)F)CNC(=O)C(CC(C)C)SC(=O)C

DOS

IR

Vibrations