Geometry & MOs

Info

ID:	44592
PubChem CID:	10504251
Reduced:	O6H18C29 (1)
Stoich.:	A6B18C29 (1)
Weight, g/mol:	462.243765
ΔH_f, kcal/mol:	-102.24
Dipole, Da:	3.72
IP(EA), eV:	-9.48(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-6-[8-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-5-methyl-1-oxo-3,4-dihydroisochromen-7-yl]-4-methylhex-4-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

DOS

IR

Vibrations