Geometry & MOs

Info

ID:	127730
PubChem CID:	51013024
Reduced:	NSeO3C21H27 (1)
Stoich.:	ABC3D21E27 (1)
Weight, g/mol:	374.151809
ΔH_f, kcal/mol:	-88.34
Dipole, Da:	3.65
IP(EA), eV:	-8.66(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,7R)-1,7-diethyl-8,9-diphenyl-3,5-dioxatricyclo[5.2.1.02,6]dec-8-ene-4,10-dione

Drug info:

PubChemData

Smile

C[C@]12CC[C@H](C1(C)C)[C@H]([C@]23CNC(=O)O3)[Se]CC4CC5=CC=CC=C5O4

DOS

IR

Vibrations