Geometry & MOs

Info

ID:	195870
PubChem CID:	78744590
Reduced:	FSN3O4C19H20 (1)
Stoich.:	ABC3D4E19F20 (1)
Weight, g/mol:	404.140593
ΔH_f, kcal/mol:	-177.07
Dipole, Da:	2.59
IP(EA), eV:	-9.55(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2,4-dimethylbenzoate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=C(C=C2)F)C(=O)OCC(=O)N3CCCC(C3)C(=O)N

DOS

IR

Vibrations