Geometry & MOs

Info

ID:	304588
PubChem CID:	124756366
Reduced:	SO2N3C19H27 (1)
Stoich.:	AB2C3D19E27 (1)
Weight, g/mol:	255.125929
ΔH_f, kcal/mol:	-61.47
Dipole, Da:	1.57
IP(EA), eV:	-8.72(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,5S,6R,7R)-5-hydroxy-4-(3-methylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-one

Drug info:

PubChemData

Smile

C1CCN(C1)CCSCC(=O)N2CCC[C@H](C2)C(=O)C3=CC=CC=N3

DOS

IR

Vibrations