Geometry & MOs

Info

ID:	127550
PubChem CID:	51005887
Reduced:	SN3O4C36H55 (1)
Stoich.:	AB3C4D36E55 (1)
Weight, g/mol:	310.141638
ΔH_f, kcal/mol:	-193.06
Dipole, Da:	5.2
IP(EA), eV:	-8.21(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,4S,8R)-4,6,6-trimethoxy-5-oxo-8-prop-1-en-2-ylbicyclo[2.2.2]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC[C@@]1(CCCN2[C@H]1C3=C(CC2)C4=CC=CC=C4N3)CCC(=O)O[C@@H]5C[C@@H]6CC[C@]5(C6(C)C)CS(=O)(=O)N(C(C)C)C(C)C

DOS

IR

Vibrations