Geometry & MOs

Info

ID:	127637
PubChem CID:	51009484
Reduced:	NCl4O4H17C24 (1)
Stoich.:	AB4C4D17E24 (1)
Weight, g/mol:	303.110673
ΔH_f, kcal/mol:	7.75
Dipole, Da:	3.71
IP(EA), eV:	-8.81(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,6R,7R,8S,9R)-8,9-dihydroxy-4-(4-methoxyphenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

Drug info:

PubChemData

Smile

COC1=CC=CC=C1[C@@H]2[C@H]3C(=O)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)[C@](N2C5=CC=CC=C5)(O3)OC

DOS

IR

Vibrations