Geometry & MOs

Info

ID:	124684
PubChem CID:	50892285
Reduced:	NSCl3O4H14C16 (1)
Stoich.:	ABC3D4E14F16 (1)
Weight, g/mol:	393.141008
ΔH_f, kcal/mol:	-139.82
Dipole, Da:	1.99
IP(EA), eV:	-9.63(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-(N-(4-fluorophenyl)sulfonyl-2,4,6-trimethylanilino)acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN(C1=C(C(=CC=C1)Cl)Cl)S(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations