Geometry & MOs

Info

ID:	190449
PubChem CID:	78007834
Reduced:	SO2N7C19H19 (1)
Stoich.:	AB2C7D19E19 (1)
Weight, g/mol:	304.178693
ΔH_f, kcal/mol:	112.5
Dipole, Da:	6.09
IP(EA), eV:	-9.12(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-cyclohexyl-3-oxobut-1-enyl)-6-cyclopropyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C1CC(=C2C=NN=C2)NN3C1NN=C3SC4=CC5=C(C=CN=C5C=C4)OCCO

DOS

IR

Vibrations