Geometry & MOs

Info

ID:	449842
PubChem CID:	135302059
Reduced:	OSF3N3C19H20 (1)
Stoich.:	ABC3D3E19F20 (1)
Weight, g/mol:	418.094705
ΔH_f, kcal/mol:	-57.19
Dipole, Da:	5.07
IP(EA), eV:	-7.38(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N'-[3-[3-[[2-(methylamino)-2-oxoacetyl]amino]phenyl]sulfonylphenyl]oxamide

Drug info:

PubChemData

Smile

C[C@H]1CN(C(=O)C2=C(C=NN12)C#CS(C)(C)C)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations