Geometry & MOs

Info

ID:	219489
PubChem CID:	85148752
Reduced:	IN2O5C21H29 (1)
Stoich.:	AB2C5D21E29 (1)
Weight, g/mol:	516.199547
ΔH_f, kcal/mol:	-210.86
Dipole, Da:	5.81
IP(EA), eV:	-9.1(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

19-(2-methoxy-5-oxo-2H-furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione

Drug info:

PubChemData

Smile

CN1C(C(=O)OCCCCCCCCC(=O)NCC1=O)CC2=CC(=C(C=C2)O)I

DOS

IR

Vibrations