Geometry & MOs

Info

ID:	133336
PubChem CID:	51510643
Reduced:	SO3N5C27H43 (1)
Stoich.:	AB3C5D27E43 (1)
Weight, g/mol:	508.292867
ΔH_f, kcal/mol:	-130.3
Dipole, Da:	6.32
IP(EA), eV:	-8.89(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(5-chloro-1-cyclohexyl-6-oxodiazinan-4-yl)piperazine-1-carbonyl]-2-ethyl-3,4,4a,5,6,7,8,8a-octahydrophthalazin-1-one

Drug info:

PubChemData

Smile

CN(CC1CCCC(C1)OC)C(=O)CSC2=NN=C3N2C4CCCCC4C(=O)N3CC5CCCCC5

DOS

IR

Vibrations