Geometry & MOs

Info

ID:	124708
PubChem CID:	50893531
Reduced:	ClSN2F3O6H12C16 (1)
Stoich.:	ABC2D3E6F12G16 (1)
Weight, g/mol:	375.150429
ΔH_f, kcal/mol:	-287.09
Dipole, Da:	2.77
IP(EA), eV:	-10.34(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetate

Drug info:

PubChemData

Smile

CC(C(=O)O)N(C1=C(C=CC(=C1)C(F)(F)F)Cl)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

DOS

IR

Vibrations