Geometry & MOs

Info

ID:	380383
PubChem CID:	134970817
Reduced:	IO5H15C17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	612.10403
ΔH_f, kcal/mol:	-111.23
Dipole, Da:	6.67
IP(EA), eV:	-9.31(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[(E)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-oxoprop-1-enyl]-4-iodo-2-methoxy-3-phenylmethoxybenzoate

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1OCC2=CC=CC=C2)I)C=O)C(=O)OC

DOS

IR

Vibrations