Geometry & MOs

Info

ID:	397512
PubChem CID:	135030319
Reduced:	YO2S3H18C23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	410.95782
ΔH_f, kcal/mol:	10.63
Dipole, Da:	27.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.004157
Charge, e:	-2

Chem-info

IUPAC name:

2-ethylpentan-1-one;5-phenyldithiole-3-thione;yttrium

Drug info:

PubChemData

Smile

C[C@H]([C-]=O)C1=CC2=C(C=C1)C=C(C=C2)OC.C1=CC(=CC=[C-]1)C2=CC(=S)SS2.[Y]

DOS

IR

Vibrations