Geometry & MOs

Info

ID:	325730
PubChem CID:	126684677
Reduced:	NC12H19 (1)
Stoich.:	AB12C19 (1)
Weight, g/mol:	525.254895
ΔH_f, kcal/mol:	-10.05
Dipole, Da:	2.19
IP(EA), eV:	-9.37(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(E)-5-[5-[(3E)-4-[5-(2-cyclohexylethyl)thiophen-2-yl]-3-methylbuta-1,3-dien-2-yl]-4-hydroxy-6-oxopyran-2-yl]hex-1-enyl]carbamate

Drug info:

PubChemData

Smile

CCCCCCC1=NC=C(C=C1)C

DOS

IR

Vibrations