Geometry & MOs

Info

ID:	342432
PubChem CID:	127265587
Reduced:	OF4N4H10C15 (1)
Stoich.:	AB4C4D10E15 (1)
Weight, g/mol:	315.069592
ΔH_f, kcal/mol:	-122.93
Dipole, Da:	11.48
IP(EA), eV:	-9.6(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-2-methyl-N-(1-methylsulfonylpropan-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CN1C2=NC(=NC(=O)C2=CN1)C=CC3=CC(=C(C=C3)F)C(F)(F)F

DOS

IR

Vibrations