Geometry & MOs

Info

ID:	229841
PubChem CID:	87569340
Reduced:	NSO3C12H21 (1)
Stoich.:	ABC3D12E21 (1)
Weight, g/mol:	134.002423
ΔH_f, kcal/mol:	-49.27
Dipole, Da:	11.15
IP(EA), eV:	-7.4(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N'-methyl-N-nitrocarbamimidothioate

Drug info:

PubChemData

Smile

C=CC[N+](CC=C)(CC=C)CC=C.OS(=O)[O-]

DOS

IR

Vibrations