Geometry & MOs

Info

ID:	221955
PubChem CID:	85292961
Reduced:	SeN2O2C21H24 (1)
Stoich.:	AB2C2D21E24 (1)
Weight, g/mol:	411.183444
ΔH_f, kcal/mol:	-41.06
Dipole, Da:	2.41
IP(EA), eV:	-8.1(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-adamantyl 17-oxo-8-azatricyclo[7.7.1.02,7]heptadeca-2,4,6,12-tetraen-10,14-diyne-8-carboxylate

Drug info:

PubChemData

Smile

C1COCCN1C2=CC=C(C=C2)C3CC(=O)CC([Se]3)C4=CC=C(C=C4)N

DOS

IR

Vibrations