Geometry & MOs

Info

ID:	323116
PubChem CID:	126672651
Reduced:	O2N3F5H24C25 (1)
Stoich.:	A2B3C5D24E25 (1)
Weight, g/mol:	506.00151
ΔH_f, kcal/mol:	-289.25
Dipole, Da:	8.75
IP(EA), eV:	-8.47(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-iodofuran-2-yl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)C2CN(C2)C3=CC=CC(=C3)N4C=C(C5=C4C=CC(=C5)C(F)(F)F)O)(F)F

DOS

IR

Vibrations