Geometry & MOs

Info

ID:	124929
PubChem CID:	50904389
Reduced:	NS2O3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	451.093702
ΔH_f, kcal/mol:	-86.93
Dipole, Da:	6.94
IP(EA), eV:	-8.63(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (1R,2R,3R,5R,6S,7R,8R)-3-(4-nitrophenyl)sulfonyloxytricyclo[4.2.2.02,5]dec-9-ene-7,8-dicarboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)[C@H]2[C@@H]3[C@H]4CC[C@H](C4)[C@H]3SC5=C2SC(=O)N5)O

DOS

IR

Vibrations