Geometry & MOs

Info

ID:	54186
PubChem CID:	14747241
Reduced:	S2O8C41H52 (1)
Stoich.:	A2B8C41D52 (1)
Weight, g/mol:	434.24571
ΔH_f, kcal/mol:	-304.04
Dipole, Da:	4.46
IP(EA), eV:	-8.53(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzyl-6-(naphthalen-1-ylmethyl)-1,4,8,11-tetraoxacyclotetradecane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCCOCC(CC2=CC=C(C=C2)C(C)C)(CC3=CC=C(C=C3)C(C)C)COCCOS(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations