Geometry & MOs

Info

ID:	406572
PubChem CID:	135078092
Reduced:	SO6C36H38 (1)
Stoich.:	AB6C36D38 (1)
Weight, g/mol:	450.204239
ΔH_f, kcal/mol:	-167.79
Dipole, Da:	3.88
IP(EA), eV:	-8.58(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(hydroxymethyl)-2,4,5-tris(phenylmethoxy)oxan-3-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2C(C(C(C(O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC(=O)C

DOS

IR

Vibrations