Geometry & MOs

Info

ID:	277158
PubChem CID:	103827072
Reduced:	BrClON2C16H16 (1)
Stoich.:	ABCD2E16F16 (1)
Weight, g/mol:	388.9488
ΔH_f, kcal/mol:	-6.72
Dipole, Da:	4.21
IP(EA), eV:	-9.7(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylbenzamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC(=N1)C)C(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations