Geometry & MOs

Info

ID:	52454
PubChem CID:	12015318
Reduced:	NSO3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	321.139865
ΔH_f, kcal/mol:	-86.55
Dipole, Da:	4.16
IP(EA), eV:	-10.2(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,6R,7S)-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.02,6]decan-4-yl]-[(1R,2R,3S,4S)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanone

Drug info:

PubChemData

Smile

C/C=C/C(=O)N1C[C@H]2[C@@H]3CC[C@H]([C@H]2S1(=O)=O)C=C3

DOS

IR

Vibrations