Geometry & MOs

Info

ID:	44729
PubChem CID:	10505610
Reduced:	PCl2H20C25 (1)
Stoich.:	AB2C20D25 (1)
Weight, g/mol:	506.163138
ΔH_f, kcal/mol:	87.96
Dipole, Da:	14.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.847550
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol;ethanol;2-oxo-2-phenylacetic acid;titanium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[P+](CC2=C(C=CC(=C2)Cl)Cl)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations