Geometry & MOs

Info

ID:	51860
PubChem CID:	12014620
Reduced:	KSSeO6C20H31 (1)
Stoich.:	ABCD6E20F31 (1)
Weight, g/mol:	518.06436
ΔH_f, kcal/mol:	-234.49
Dipole, Da:	22.87
IP(EA), eV:	-6.65(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

potassium;1,4,7,10,13,16-hexaoxacyclooctadecane;(4-methylphenyl)-selanylidenemethanethiolate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=[Se])[S-].C1COCCOCCOCCOCCOCCO1.[K+]

DOS

IR

Vibrations