Geometry & MOs

Info

ID:	383626
PubChem CID:	134975442
Reduced:	NNa2S3H5C9 (1)
Stoich.:	AB2C3D5E9 (1)
Weight, g/mol:	272.130697
ΔH_f, kcal/mol:	-14.37
Dipole, Da:	11.12
IP(EA), eV:	-6.4(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3,3-bis(dimethylamino)-2-nitro-N-prop-2-enylprop-2-enimidothioate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=C(S2)[S-])[S-].[Na+].[Na+]

DOS

IR

Vibrations