Geometry & MOs

Info

ID:	251266
PubChem CID:	103102565
Reduced:	OSN4C13H18 (1)
Stoich.:	ABC4D13E18 (1)
Weight, g/mol:	317.97707
ΔH_f, kcal/mol:	-16.01
Dipole, Da:	6.23
IP(EA), eV:	-8.71(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-5-bromo-2-chloro-N-ethylbenzamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C1=C(C=C2CCCC2=N1)C(=S)N

DOS

IR

Vibrations