Geometry & MOs

Info

ID:	66120
PubChem CID:	46493569
Reduced:	SO2F3N3C23H24 (1)
Stoich.:	AB2C3D3E23F24 (1)
Weight, g/mol:	434.032576
ΔH_f, kcal/mol:	-208.57
Dipole, Da:	0.48
IP(EA), eV:	-8.97(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-(4-methylsulfanylphenyl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(CNC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F)C4=CC=CC=C4

DOS

IR

Vibrations