Geometry & MOs

Info

ID:

188551

PubChem CID:

77732004

Reduced:

FSN3O6H17C23 (1)

Stoich.:

ABC3D6E17F23 (1)

Weight, g/mol:

330.023632

ΔHf, kcal/mol:

-151.26

Dipole, Da:

9.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.765349

Charge, e:

 -1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)C(=O)N.C1=CC(=CC(=C1)F)C=C2C(=O)C3=C(C=CC(=C3)C(=O)O)N=[S-]2=O

DOS

IR

Vibrations