Geometry & MOs

Info

ID:	127530
PubChem CID:	51005135
Reduced:	NO4C21H27 (1)
Stoich.:	AB4C21D27 (1)
Weight, g/mol:	321.157623
ΔH_f, kcal/mol:	-157.17
Dipole, Da:	3.1
IP(EA), eV:	-9.59(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl (1S,5S,7E,8R)-7-[2-(1,3-dioxan-2-yl)ethylidene]-8-hydroxy-6-azabicyclo[3.2.1]oct-3-ene-6-carboxylate

Drug info:

PubChemData

Smile

CC1([C@H]2CC[C@@]1([C@@H](C2)OC)C(=O)N3[C@H](COC3=O)CC4=CC=CC=C4)C

DOS

IR

Vibrations