Geometry & MOs

Info

ID:	44039
PubChem CID:	10500596
Reduced:	O7C21H26 (1)
Stoich.:	A7B21C26 (1)
Weight, g/mol:	390.99676
ΔH_f, kcal/mol:	-266.25
Dipole, Da:	1.38
IP(EA), eV:	-9.65(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-phenylselanylpropyl)-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),4,11-tetraene

Drug info:

PubChemData

Smile

CCOC(=O)OC(/C=C/CC(=C)CC(C(=O)OC)C(=O)OC)C1=CC=CC=C1

DOS

IR

Vibrations