Geometry & MOs

Info

ID:	169349
PubChem CID:	75091011
Reduced:	SN3O8C28H33 (1)
Stoich.:	AB3C8D28E33 (1)
Weight, g/mol:	436.04408
ΔH_f, kcal/mol:	-184.25
Dipole, Da:	9.8
IP(EA), eV:	-8.94(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-adamantyl 7-bromo-2-chloro-1-oxo-3,4-dihydronaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CCN(C3CCCC4C3(O4)CO)S(=O)(=O)C5=CC=CC=C5[N+](=O)[O-]

DOS

IR

Vibrations