Geometry & MOs

Info

ID:	160314
PubChem CID:	57309661
Reduced:	NC11H13 (2)
Stoich.:	AB11C13 (2)
Weight, g/mol:	314.11227
ΔH_f, kcal/mol:	36.26
Dipole, Da:	4.06
IP(EA), eV:	-7.48(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclohexylsulfanylmethylidene)-2,6-diethyl-1,2,6-thiadiazinane-3,5-dione

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C(=C1)C)C3=C(C2(C)C)C4=CC=CC=C4N3

DOS

IR

Vibrations