Geometry & MOs

Info

ID:	168053
PubChem CID:	74917776
Reduced:	SN2O3H28C30 (1)
Stoich.:	AB2C3D28E30 (1)
Weight, g/mol:	451.235873
ΔH_f, kcal/mol:	-32.79
Dipole, Da:	3.75
IP(EA), eV:	-8.41(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-ethoxy-3-(4-methoxyphenyl)-1-benzofuran-5-yl]-N-(3-propan-2-yloxypropyl)but-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)OC=C2C3=C(C=C(C=C3)C)C)C(=CC(=O)NC4=CC5=C(C=C4)SC(=N5)C)C

DOS

IR

Vibrations