Geometry & MOs

Info

ID:	314084
PubChem CID:	126620364
Reduced:	ISN3O4H16C21 (1)
Stoich.:	ABC3D4E16F21 (1)
Weight, g/mol:	278.079038
ΔH_f, kcal/mol:	-10.67
Dipole, Da:	7.8
IP(EA), eV:	-9.15(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-hydroxy-6,13-dioxapentacyclo[9.3.1.14,8.02,10.03,9]hexadecane-5,7,12-trione

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)I)COC2=CC=CC(=C2)C3=CC=C(O3)C4=NC(=NN4)SCC(=O)O

DOS

IR

Vibrations