Geometry & MOs

Info

ID:	155723
PubChem CID:	56367173
Reduced:	SO2N4H22C24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	413.105481
ΔH_f, kcal/mol:	10.97
Dipole, Da:	7.26
IP(EA), eV:	-8.99(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(CC1=NC2=CC=CC=C2S1)(C3=CC=CC=C3)C(=O)NCC(=O)NC4=CN=CC=C4

DOS

IR

Vibrations