Geometry & MOs

Info

ID:	325749
PubChem CID:	126684764
Reduced:	SO6C25H32 (1)
Stoich.:	AB6C25D32 (1)
Weight, g/mol:	498.272987
ΔH_f, kcal/mol:	-256.96
Dipole, Da:	5.27
IP(EA), eV:	-8.96(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(E)-5-[5-[3-(6-hexylpyridin-3-yl)-2-methylpropanoyl]-4-hydroxy-6-oxopyran-2-yl]hex-1-enyl]carbamate

Drug info:

PubChemData

Smile

CCCCC1=CC=C(S1)CC(CC)C(=O)C2=C(C=C(OC2=O)C(C)CC/C=C/C(=O)O)O

DOS

IR

Vibrations