Geometry & MOs

Info

ID:	401468
PubChem CID:	135051355
Reduced:	NSe2C15H18 (1)
Stoich.:	AB2C15D18 (1)
Weight, g/mol:	320.009635
ΔH_f, kcal/mol:	46.91
Dipole, Da:	2.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.923284
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-5-(2-methoxyphenyl)-3-phenyl-1lambda4,2-dithiacyclopenta-3,5-diene

Drug info:

PubChemData

Smile

CC\1=C([Se][Se]/C1=C(/C)\C=[N+](C)C)C2=CC=CC=C2

DOS

IR

Vibrations