Geometry & MOs

Info

ID:	242862
PubChem CID:	99213488
Reduced:	BrN2O3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	456.171893
ΔH_f, kcal/mol:	-61.62
Dipole, Da:	5.51
IP(EA), eV:	-9.32(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-ethylprop-2-enamide

Drug info:

PubChemData

Smile

CCN([C@H](C)C1=CC2=CC=CC=C2O1)C(=O)[C@@H](C)NC(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations