Geometry & MOs

Info

ID:	158372
PubChem CID:	56463529
Reduced:	BrSN2O4C17H23 (1)
Stoich.:	ABC2D4E17F23 (1)
Weight, g/mol:	449.140927
ΔH_f, kcal/mol:	-161.34
Dipole, Da:	1.53
IP(EA), eV:	-9.66(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-(2-ethylsulfonylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations