Geometry & MOs

Info

ID:	168069
PubChem CID:	74920526
Reduced:	NO4C25H27 (1)
Stoich.:	AB4C25D27 (1)
Weight, g/mol:	490.156243
ΔH_f, kcal/mol:	-102.69
Dipole, Da:	4.16
IP(EA), eV:	-8.55(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-methoxy-7-methyl-3-(4-methylphenyl)-1-benzofuran-5-yl]-N-(4-sulfamoylphenyl)but-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=COC3=C(C(=C(C=C23)C(=CC(=O)N4CCOCC4)C)OC)C

DOS

IR

Vibrations