Geometry & MOs

Info

ID:	325727
PubChem CID:	126684663
Reduced:	NO7C29H37 (1)
Stoich.:	AB7C29D37 (1)
Weight, g/mol:	499.257003
ΔH_f, kcal/mol:	-281.12
Dipole, Da:	3.78
IP(EA), eV:	-8.27(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(E)-5-[5-[3-[4-(2,2-dimethylpropoxy)phenyl]-2-methylpropanoyl]-4-hydroxy-6-oxopyran-2-yl]hex-1-enyl]carbamate

Drug info:

PubChemData

Smile

CC(C)COC1=CC=C(C=C1)C=CCC(C)C(=O)C2=C(C=C(OC2=O)C(C)CC/C=C/NC(=O)OC)O

DOS

IR

Vibrations