Geometry & MOs

Info

ID:	54853
PubChem CID:	17389405
Reduced:	ISN3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	336.97458
ΔH_f, kcal/mol:	88.22
Dipole, Da:	3.25
IP(EA), eV:	-8.82(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N'-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamimidothioate;hydroiodide

Drug info:

PubChemData

Smile

C/C(=N/NC(=NC1=CC=CC=C1)SC)/C2=CC=CC=C2.I

DOS

IR

Vibrations