Geometry & MOs

Info

ID:	124604
PubChem CID:	50889360
Reduced:	SF2N2O5C18H18 (1)
Stoich.:	AB2C2D5E18F18 (1)
Weight, g/mol:	404.140593
ΔH_f, kcal/mol:	-261.94
Dipole, Da:	7.69
IP(EA), eV:	-9.62(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-ethylanilino)acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN(C1=C(C=C(C=C1)F)F)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

DOS

IR

Vibrations