Geometry & MOs

Info

ID:	21098
PubChem CID:	587187
Reduced:	ClSF3N5O6H21C23 (1)
Stoich.:	ABC3D5E6F21G23 (1)
Weight, g/mol:	587.085317
ΔH_f, kcal/mol:	-298.16
Dipole, Da:	5.54
IP(EA), eV:	-8.81(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3-chlorobenzoyl)amino]-3,3,3-trifluoro-2-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]anilino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(C=C2)OC)NC(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations