Geometry & MOs

Info

ID:	60746
PubChem CID:	26697544
Reduced:	NO4C17H21 (1)
Stoich.:	AB4C17D21 (1)
Weight, g/mol:	444.171893
ΔH_f, kcal/mol:	-153.47
Dipole, Da:	2.64
IP(EA), eV:	-9.0(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[3-(butylsulfamoyl)phenyl]-3-[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations