Geometry & MOs

Info

ID:	441108
PubChem CID:	135233143
Reduced:	O7C33H42 (1)
Stoich.:	A7B33C42 (1)
Weight, g/mol:	321.157623
ΔH_f, kcal/mol:	-294.59
Dipole, Da:	4.35
IP(EA), eV:	-8.83(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(E)-5-(4-methyl-6-oxo-5-propanoylpyran-2-yl)hex-1-enyl]carbamate

Drug info:

PubChemData

Smile

CCCCCCC1=CC2=C(C=C1)OC(=C2)CC(C)C(=O)C3=C(C=C(OC3=O)[C@H](C)CC/C=C/CCC(=O)OC)O

DOS

IR

Vibrations