Geometry & MOs

Info

ID:	63464
PubChem CID:	26758403
Reduced:	ClNF2O3H14C17 (1)
Stoich.:	ABC2D3E14F17 (1)
Weight, g/mol:	446.051477
ΔH_f, kcal/mol:	-193.26
Dipole, Da:	4.28
IP(EA), eV:	-9.02(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[4-chloro-3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2,4-difluorobenzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)[C@H](C)OC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations