Geometry & MOs

Info

ID:	182389
PubChem CID:	76884236
Reduced:	FSN2O2H13C17 (1)
Stoich.:	ABC2D2E13F17 (1)
Weight, g/mol:	365.153955
ΔH_f, kcal/mol:	-34.68
Dipole, Da:	5.6
IP(EA), eV:	-8.51(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(3-fluoro-4-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)C=CC2=NC3=CC=CC=C3S2)F

DOS

IR

Vibrations