Geometry & MOs

Info

ID:	63454
PubChem CID:	26758376
Reduced:	SCl2O3N5H19C21 (1)
Stoich.:	AB2C3D5E19F21 (1)
Weight, g/mol:	333.11765
ΔH_f, kcal/mol:	-37.57
Dipole, Da:	5.32
IP(EA), eV:	-9.05(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2,4-difluorobenzoate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=C(C=CC(=C4)Cl)Cl

DOS

IR

Vibrations