Geometry & MOs

Info

ID:	251240
PubChem CID:	103102423
Reduced:	O3N4C11H12 (1)
Stoich.:	A3B4C11D12 (1)
Weight, g/mol:	200.073182
ΔH_f, kcal/mol:	6.07
Dipole, Da:	6.83
IP(EA), eV:	-9.41(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-(2-amino-2-oxoethyl)-N'-cyano-N-ethylcarbamimidothioate

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C1=CC(=C(C=C1)C#N)[N+](=O)[O-]

DOS

IR

Vibrations