Geometry & MOs

Info

ID:	313376
PubChem CID:	126614160
Reduced:	I4O4H28C31 (1)
Stoich.:	A4B4C28D31 (1)
Weight, g/mol:	384.20893
ΔH_f, kcal/mol:	-72.55
Dipole, Da:	3.15
IP(EA), eV:	-8.53(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-16-octyl-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1O)CC2=CC(=C(C(=C2)I)O)I)C)CC3=C(C(=C(C(=C3)C)O)CC4=CC(=C(C(=C4)I)O)I)C

DOS

IR

Vibrations