Geometry & MOs

Info

ID:

132685

PubChem CID:

51401548

Reduced:

FSO2N4H8C11 (1)

Stoich.:

ABC2D4E8F11 (1)

Weight, g/mol:

297.025778

ΔHf, kcal/mol:

-0.43

Dipole, Da:

1.82

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.920794

Charge, e:

 -1

Chem-info

IUPAC name:

3-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazin-5-olate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)NC(=O)CSC2=NC(=CN=N2)[O-]

DOS

IR

Vibrations