Geometry & MOs

Info

ID:	61518
PubChem CID:	26710138
Reduced:	SN2O6C23H28 (1)
Stoich.:	AB2C6D23E28 (1)
Weight, g/mol:	355.088768
ΔH_f, kcal/mol:	-214.12
Dipole, Da:	7.09
IP(EA), eV:	-8.37(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(3-fluorophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC[C@H](C3)C(=O)OCC

DOS

IR

Vibrations