Geometry & MOs

Info

ID:	325728
PubChem CID:	126684664
Reduced:	NO7C28H37 (1)
Stoich.:	AB7C28D37 (1)
Weight, g/mol:	517.249809
ΔH_f, kcal/mol:	-288.4
Dipole, Da:	8.21
IP(EA), eV:	-8.27(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(E)-5-[5-[4-(4-hexylthiophen-2-yl)-2-methylbutanoyl]-4-hydroxy-6-oxopyran-2-yl]hex-1-enyl]carbamate

Drug info:

PubChemData

Smile

CC(CC/C=C/NC(=O)OC)C1=CC(=C(C(=O)O1)C(=O)C(C)CC2=CC=C(C=C2)OCC(C)(C)C)O

DOS

IR

Vibrations