Geometry & MOs

Info

ID:

51862

PubChem CID:

12014622

Reduced:

SSeH7C8 (1)

Stoich.:

ABC7D8 (1)

Weight, g/mol:

564.01245

ΔHf, kcal/mol:

75.87

Dipole, Da:

3.19

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.818797

Charge, e:

 0

Chem-info

IUPAC name:

1,4,7,10,13,16-hexaoxacyclooctadecane;(2-methylphenyl)-selanylidenemethanethiolate;rubidium(1+)

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=S)[Se]

DOS

IR

Vibrations