Geometry & MOs

Info

ID:	402475
PubChem CID:	135056135
Reduced:	OC17H20 (1)
Stoich.:	AB17C20 (1)
Weight, g/mol:	333.139865
ΔH_f, kcal/mol:	-7.18
Dipole, Da:	2.44
IP(EA), eV:	-9.05(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,7S)-6-methyl-3-(4-methylphenyl)sulfonyl-9-oxa-3-azatricyclo[5.3.2.01,5]dodec-5-ene

Drug info:

PubChemData

Smile

C[C@@]\12CCC/C=C\C(=C1\COC2)\C3=CC=CC=C3

DOS

IR

Vibrations