Geometry & MOs

Info

ID:	279213
PubChem CID:	103842085
Reduced:	BrClNOH11C12 (1)
Stoich.:	ABCDE11F12 (1)
Weight, g/mol:	334.97463
ΔH_f, kcal/mol:	8.69
Dipole, Da:	3.81
IP(EA), eV:	-9.88(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-(1-ethylsulfanylpropan-2-yl)benzamide

Drug info:

PubChemData

Smile

CC(CC#C)NC(=O)C1=CC(=C(C=C1)Cl)Br

DOS

IR

Vibrations