Geometry & MOs

Info

ID:	391909
PubChem CID:	135010887
Reduced:	SO7C25H32 (1)
Stoich.:	AB7C25D32 (1)
Weight, g/mol:	316.142307
ΔH_f, kcal/mol:	-296.45
Dipole, Da:	4.79
IP(EA), eV:	-8.92(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (2S,3R)-5-[4-(methylamino)pyridin-3-yl]bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate

Drug info:

PubChemData

Smile

CC1(C2CC[C@]1(C(=O)C2)CS(=O)(=O)OC3=CC=C(C=C3)CC[C@H]4C[C@H]5C[C@@H](O4)CC(=O)O5)C

DOS

IR

Vibrations