Geometry & MOs

Info

ID:	33593
PubChem CID:	7887110
Reduced:	ClN3O3H20C21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	408.115521
ΔH_f, kcal/mol:	-55.42
Dipole, Da:	2.12
IP(EA), eV:	-9.38(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

C1CCC(=CC1)N(CC2=CC=CO2)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Cl

DOS

IR

Vibrations