Geometry & MOs

Info

ID:	228076
PubChem CID:	87563343
Reduced:	ClSO2F3N3H11C15 (1)
Stoich.:	ABC2D3E3F11G15 (1)
Weight, g/mol:	353.044582
ΔH_f, kcal/mol:	-190.52
Dipole, Da:	3.8
IP(EA), eV:	-9.5(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations