Geometry & MOs

Info

ID:	325736
PubChem CID:	126684706
Reduced:	NSF3O6C27H34 (1)
Stoich.:	ABC3D6E27F34 (1)
Weight, g/mol:	455.230788
ΔH_f, kcal/mol:	-414.11
Dipole, Da:	11.15
IP(EA), eV:	-8.85(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC/C=C/NC(=O)OC)C1=CC(=C(C(=O)O1)C(=O)C(C)CC2=CC=C(S2)CCCCCC(F)(F)F)O

DOS

IR

Vibrations