Geometry & MOs

Info

ID:	228078
PubChem CID:	87563345
Reduced:	ClSF3N3O3H11C15 (1)
Stoich.:	ABC3D3E3F11G15 (1)
Weight, g/mol:	361.026345
ΔH_f, kcal/mol:	-228.16
Dipole, Da:	8.5
IP(EA), eV:	-9.94(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)N)N(C(=O)NC(=O)C2=CC(=C(C(=C2)F)F)F)S.Cl

DOS

IR

Vibrations