Geometry & MOs

Info

ID:	52452
PubChem CID:	12015316
Reduced:	NSO3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	253.077265
ΔH_f, kcal/mol:	-116.8
Dipole, Da:	3.39
IP(EA), eV:	-10.18(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[(1R,2S,6R,7S)-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]but-2-en-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations