Geometry & MOs

Info

ID:	441132
PubChem CID:	135233257
Reduced:	OF2N6H16C19 (1)
Stoich.:	AB2C6D16E19 (1)
Weight, g/mol:	579.319603
ΔH_f, kcal/mol:	-21.43
Dipole, Da:	2.97
IP(EA), eV:	-9.2(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(E)-5-[5-[5-(5-hexyl-1-benzofuran-2-yl)-2,4-dimethylpentanoyl]-4-hydroxy-6-oxopyran-2-yl]hex-1-enyl]carbamate

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2=C(N(C=N2)CC(F)F)C3=CN4C(=NC=C4NC=O)C=C3

DOS

IR

Vibrations