Geometry & MOs

Info

ID:	22229
PubChem CID:	596337
Reduced:	N3S4C13H15 (1)
Stoich.:	A3B4C13D15 (1)
Weight, g/mol:	341.014882
ΔH_f, kcal/mol:	111.11
Dipole, Da:	8.49
IP(EA), eV:	-8.75(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(N-cyano-C-methylsulfanylcarbonimidoyl)sulfanylmethyl N-ethyl-N-phenylcarbamodithioate

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)C(=S)SCSC(=NC#N)SC

DOS

IR

Vibrations