Geometry & MOs

Info

ID:	325734
PubChem CID:	126684703
Reduced:	NO6C28H37 (1)
Stoich.:	AB6C28D37 (1)
Weight, g/mol:	503.234159
ΔH_f, kcal/mol:	-269.71
Dipole, Da:	4.29
IP(EA), eV:	-8.79(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC1=CC(=C(C=C1)CC(C)C(=O)C2=C(C=C(OC2=O)C(C)CC/C=C/NC(=O)OC)O)C

DOS

IR

Vibrations