Geometry & MOs

Info

ID:	50054
PubChem CID:	11539067
Reduced:	PtO2C3Cl3N3H11 (1)
Stoich.:	AB2C3D3E3F11 (1)
Weight, g/mol:	422.149616
ΔH_f, kcal/mol:	10.58
Dipole, Da:	8.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.623656
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-methoxyphenyl)methyl]phenyl]-5-ethoxy-6-(hydroxymethyl)oxane-3,4-diol

Drug info:

PubChemData

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CC(CN)N.N(=O)O.[Cl-].[Cl-].[Cl-].[Pt+4]

DOS

IR

Vibrations