Geometry & MOs

Info

ID:	441124
PubChem CID:	135233226
Reduced:	NO3C24H43 (1)
Stoich.:	AB3C24D43 (1)
Weight, g/mol:	557.205893
ΔH_f, kcal/mol:	-218.62
Dipole, Da:	5.79
IP(EA), eV:	-9.93(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(E)-5-[4-hydroxy-5-[(2S)-2-methyl-3-[5-(6,6,6-trifluorohexyl)thiophen-2-yl]propanoyl]-6-oxopyran-2-yl]hex-1-enyl]carbamate

Drug info:

PubChemData

Smile

CCCCCCCCC(=O)CCCCCN1C(=O)CC(C1=O)CCCCCC

DOS

IR

Vibrations