Geometry & MOs

Info

ID:	305308
PubChem CID:	124767982
Reduced:	NO5H13C14 (1)
Stoich.:	AB5C13D14 (1)
Weight, g/mol:	444.189651
ΔH_f, kcal/mol:	-148.93
Dipole, Da:	4.08
IP(EA), eV:	-8.82(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (1S,2S,3S,7R,8R,10S)-5,8-dicyano-3,10-diethoxy-9-oxatricyclo[6.2.2.02,7]dodeca-5,11-diene-7,11-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)[C@@H]2[C@H]3C=C[C@H]([C@@H]2C(=O)O)O3)O

DOS

IR

Vibrations