Geometry & MOs

Info

ID:	21097
PubChem CID:	587186
Reduced:	ClSF3N5O5H23C24 (1)
Stoich.:	ABC3D5E5F23G24 (1)
Weight, g/mol:	585.106052
ΔH_f, kcal/mol:	-297.43
Dipole, Da:	3.59
IP(EA), eV:	-9.5(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3-chlorobenzoyl)amino]-2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-3,3,3-trifluoropropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)C)C)NC(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations