Geometry & MOs

Info

ID:	220920
PubChem CID:	85240505
Reduced:	SO2N6C11H14 (1)
Stoich.:	AB2C6D11E14 (1)
Weight, g/mol:	294.146724
ΔH_f, kcal/mol:	-22.1
Dipole, Da:	3.42
IP(EA), eV:	-9.25(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4,4-dimethyl-6,10-dioxo-3-oxatricyclo[6.2.2.02,7]dodecane-7-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N1CC(SC1CO)N2C=NC3=C(N=CN=C32)N

DOS

IR

Vibrations