Geometry & MOs

Info

ID:	63492
PubChem CID:	26758480
Reduced:	ClSO3N4C23H23 (1)
Stoich.:	ABC3D4E23F23 (1)
Weight, g/mol:	353.063027
ΔH_f, kcal/mol:	-47.5
Dipole, Da:	8.43
IP(EA), eV:	-8.65(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2,4-difluorobenzoate

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=NC=C3)S(=O)(=O)NC4=CC=CC=C4Cl

DOS

IR

Vibrations