Geometry & MOs

Info

ID:	60186
PubChem CID:	26675865
Reduced:	FSN2O3H19C23 (1)
Stoich.:	ABC2D3E19F23 (1)
Weight, g/mol:	420.114378
ΔH_f, kcal/mol:	-58.37
Dipole, Da:	4.94
IP(EA), eV:	-9.63(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(4-cyanophenyl)methyl-(4-methylphenyl)sulfonylamino]benzoate

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)F)CC3=CC=CC=C3C#N

DOS

IR

Vibrations