Geometry & MOs

Info

ID:	216912
PubChem CID:	85086960
Reduced:	N2S2O3C13H18 (1)
Stoich.:	A2B2C3D13E18 (1)
Weight, g/mol:	316.043712
ΔH_f, kcal/mol:	-90.15
Dipole, Da:	6.29
IP(EA), eV:	-9.13(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-(4-chlorophenyl)-2-sulfanylidene-1,3-diazinan-4-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N=C(N2CCOCC2)SC

DOS

IR

Vibrations