Geometry & MOs

Info

ID:	175194
PubChem CID:	75865245
Reduced:	ClN2O6C17H19 (1)
Stoich.:	AB2C6D17E19 (1)
Weight, g/mol:	442.096535
ΔH_f, kcal/mol:	-234.59
Dipole, Da:	2.89
IP(EA), eV:	-9.11(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)methyl 1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CN1C(CC(=O)N(C1=O)C)COC(=O)CC2=CC3=C(C(=C2)Cl)OCCO3

DOS

IR

Vibrations