Geometry & MOs

Info

ID:	393241
PubChem CID:	135019842
Reduced:	SO3C36H74 (1)
Stoich.:	AB3C36D74 (1)
Weight, g/mol:	415.02805
ΔH_f, kcal/mol:	-305.54
Dipole, Da:	3.59
IP(EA), eV:	-10.62(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,9R,13R)-13-iodo-11-oxo-10-propyl-12-oxa-8-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-8-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCC)OS(=O)(=O)C

DOS

IR

Vibrations