Geometry & MOs

Info

ID:	228079
PubChem CID:	87563347
Reduced:	ClOSF3N3H11C14 (1)
Stoich.:	ABCD3E3F11G14 (1)
Weight, g/mol:	325.049668
ΔH_f, kcal/mol:	-145.39
Dipole, Da:	8.38
IP(EA), eV:	-8.7(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-aminophenyl)carbamothioyl]-3,4,5-trifluorobenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N)NC(=S)NC(=O)C2=CC(=C(C(=C2)F)F)F.Cl

DOS

IR

Vibrations