Geometry & MOs

Info

ID:	124932
PubChem CID:	50904392
Reduced:	NO5C18H22 (1)
Stoich.:	AB5C18D22 (1)
Weight, g/mol:	315.125929
ΔH_f, kcal/mol:	-159.09
Dipole, Da:	5.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.044457
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,6S,7S,8S,10S)-4-naphthalen-1-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C(=O)[O-])NC(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)OC

DOS

IR

Vibrations