Geometry & MOs

Info

ID:	219907
PubChem CID:	85165030
Reduced:	O3H38C44 (1)
Stoich.:	A3B38C44 (1)
Weight, g/mol:	614.27021
ΔH_f, kcal/mol:	48.99
Dipole, Da:	2.14
IP(EA), eV:	-9.36(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-ethylsulfanyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]-2-phenylmethoxyethanol

Drug info:

PubChemData

Smile

C1C(C(C1=O)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)COC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations