Geometry & MOs

Info

ID:	397511
PubChem CID:	135030318
Reduced:	OYS3H8C11 (1)
Stoich.:	ABC3D8E11 (1)
Weight, g/mol:	510.95273
ΔH_f, kcal/mol:	78.43
Dipole, Da:	5.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.437309
Charge, e:	-2

Chem-info

IUPAC name:

(2S)-2-(6-methoxynaphthalen-2-yl)propan-1-one;5-phenyldithiole-3-thione;yttrium

Drug info:

PubChemData

Smile

C[C-]=O.C1=CC(=CC=[C-]1)C2=CC(=S)SS2.[Y]

DOS

IR

Vibrations