Geometry & MOs

Info

ID:	173704
PubChem CID:	75671972
Reduced:	ClFSN2O3H16C21 (1)
Stoich.:	ABCD2E3F16G21 (1)
Weight, g/mol:	420.158626
ΔH_f, kcal/mol:	-83.1
Dipole, Da:	3.58
IP(EA), eV:	-9.0(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-(pyridin-4-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3Cl)F

DOS

IR

Vibrations