Geometry & MOs

Info

ID:	401766
PubChem CID:	135052474
Reduced:	SeN2O2C14H16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	512.062049
ΔH_f, kcal/mol:	-30.09
Dipole, Da:	1.39
IP(EA), eV:	-8.9(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S)-6-chloro-1-(4-methylphenyl)-4,5-diphenyl-5-trimethylsilyl-2,7-dithia-6-phosphabicyclo[2.2.1]heptan-3-one

Drug info:

PubChemData

Smile

CCOC(=O)C1C(=NC2=C(C=CC=C2C)C)[Se]C=N1

DOS

IR

Vibrations