Geometry & MOs

Info

ID:

401760

PubChem CID:

135052463

Reduced:

C2S2N3H4 (1)

Stoich.:

A2B2C3D4 (1)

Weight, g/mol:

391.033034

ΔHf, kcal/mol:

11.41

Dipole, Da:

3.64

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.758430

Charge, e:

 0

Chem-info

IUPAC name:

diethylcarbamothioyl (1Z)-N-methylsulfonyloxy-4-nitrobenzenecarboximidothioate

Drug info:

PubChemData

Smile

C1(=NC(=[NH2+])SS1)N

DOS

IR

Vibrations