Geometry & MOs

Info

ID:	441107
PubChem CID:	135233140
Reduced:	NOC20H29 (1)
Stoich.:	ABC20D29 (1)
Weight, g/mol:	550.293054
ΔH_f, kcal/mol:	-26.5
Dipole, Da:	4.6
IP(EA), eV:	-8.32(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E,8R)-8-[5-[3-(5-hexyl-1-benzofuran-2-yl)-2-methylpropanoyl]-4-hydroxy-6-oxopyran-2-yl]non-4-enoate

Drug info:

PubChemData

Smile

CCC(=C)C1=CC=C(CC1=C)C(C)CC/C=C/NC(=O)CC

DOS

IR

Vibrations