Geometry & MOs

Info

ID:	29460
PubChem CID:	833934
Reduced:	SN2O2H18C19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	338.029205
ΔH_f, kcal/mol:	-12.93
Dipole, Da:	4.48
IP(EA), eV:	-8.72(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[(3-fluorophenyl)carbamothioyl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=S)NC(=O)C2=CC3=CC=CC=C3O2)C

DOS

IR

Vibrations