Geometry & MOs

Info

ID:

383654

PubChem CID:

134975505

Reduced:

NO2S2F3C7H7 (1)

Stoich.:

AB2C2D3E7F7 (1)

Weight, g/mol:

238.99617

ΔHf, kcal/mol:

-212.9

Dipole, Da:

5.48

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.756722

Charge, e:

 0

Chem-info

IUPAC name:

2-imino-4-phenyl-1,3-selenazol-3-amine

Drug info:

PubChemData

Smile

C[N+]1=C(SC(=C1C(=O)C(F)(F)F)O)SC

DOS

IR

Vibrations