Geometry & MOs

Info

ID:	325712
PubChem CID:	126684603
Reduced:	NO6C17H21 (1)
Stoich.:	AB6C17D21 (1)
Weight, g/mol:	489.218509
ΔH_f, kcal/mol:	-235.65
Dipole, Da:	4.81
IP(EA), eV:	-9.3(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC/C=C/NC(=O)OC)C1=CC(=O)/C(=C(/C(=C)C)\O)/C(=O)O1

DOS

IR

Vibrations