Geometry & MOs

Info

ID:	189634
PubChem CID:	77883402
Reduced:	SN2O4C13H16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	363.060586
ΔH_f, kcal/mol:	-76.21
Dipole, Da:	7.97
IP(EA), eV:	-8.84(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

imidazolidine-2-thione;2-sulfanylidene-1,3-diazinan-4-one;3-sulfanylidene-1,2,4-triazinan-5-one

Drug info:

PubChemData

Smile

CC(=CC(=O)OCCSCC1=CC=C(C=C1)[N+](=O)[O-])N

DOS

IR

Vibrations