Geometry & MOs

Info

ID:	359800
PubChem CID:	127299844
Reduced:	ClON5C17H20 (1)
Stoich.:	ABC5D17E20 (1)
Weight, g/mol:	391.138819
ΔH_f, kcal/mol:	14.84
Dipole, Da:	4.97
IP(EA), eV:	-9.06(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(10-cyclohexyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-1,4-thiazinane 1,1-dioxide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CC(=C(N=C2)N3CCN4C=CN=C4C3)Cl

DOS

IR

Vibrations