Geometry & MOs

Info

ID:	378277
PubChem CID:	134224353
Reduced:	FNO2C21H22 (1)
Stoich.:	ABC2D21E22 (1)
Weight, g/mol:	449.200237
ΔH_f, kcal/mol:	-89.44
Dipole, Da:	3.4
IP(EA), eV:	-8.81(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-4-[6-butan-2-yl-2-(4-fluorophenyl)-3-[hydroxy(methylamino)methyl]-1-benzofuran-5-yl]-2-ethenylpenta-2,4-dienoic acid

Drug info:

PubChemData

Smile

CCC(C)C1=CC2=C(C=C1)C(=C(O2)C3=CC=C(C=C3)CF)C(=O)NC

DOS

IR

Vibrations