Geometry & MOs

Info

ID:	29450
PubChem CID:	833879
Reduced:	BrNO3H10C16 (1)
Stoich.:	ABC3D10E16 (1)
Weight, g/mol:	296.075012
ΔH_f, kcal/mol:	-27.59
Dipole, Da:	4.0
IP(EA), eV:	-8.94(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(cyclopentylcarbamothioyl)-4-methylbenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N2C(=O)C=CC2=O)OC3=CC=C(C=C3)Br

DOS

IR

Vibrations