Geometry & MOs

Info

ID:	168091
PubChem CID:	74923618
Reduced:	NF2O4H25C28 (1)
Stoich.:	AB2C4D25E28 (1)
Weight, g/mol:	491.190815
ΔH_f, kcal/mol:	-171.75
Dipole, Da:	7.25
IP(EA), eV:	-8.59(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,6-difluorophenyl)methyl]-3-[6-ethoxy-3-(3-methoxyphenyl)-7-methyl-1-benzofuran-5-yl]but-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=COC2=C1C)C3=CC(=CC=C3)OC)C(=CC(=O)NC4=CC(=C(C=C4)F)F)C

DOS

IR

Vibrations