Geometry & MOs

Info

ID:	325750
PubChem CID:	126684769
Reduced:	NO3C14H19 (2)
Stoich.:	AB3C14D19 (2)
Weight, g/mol:	490.213758
ΔH_f, kcal/mol:	-261.48
Dipole, Da:	5.39
IP(EA), eV:	-9.38(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCC1=NC=C(C=C1)CC(C)C(=O)C2=C(C=C(OC2=O)C(C)CC/C=C/NC(=O)OC)O

DOS

IR

Vibrations