Geometry & MOs

Info

ID:	219011
PubChem CID:	85090366
Reduced:	FN4O4H29C31 (1)
Stoich.:	AB4C4D29E31 (1)
Weight, g/mol:	538.154254
ΔH_f, kcal/mol:	-98.17
Dipole, Da:	5.75
IP(EA), eV:	-9.54(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,5,13,16-tetraoxo-1,6,12,17-tetraoxacyclodocos-14-en-3-yl)sulfanyl]propyl methanesulfonate

Drug info:

PubChemData

Smile

C1CN(C(=O)NC1=O)C2C(C(C(O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)N6C=CN=C6)F

DOS

IR

Vibrations