Geometry & MOs

Info

ID:	283634
PubChem CID:	103994762
Reduced:	BrION2H10C11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	435.87419
ΔH_f, kcal/mol:	18.01
Dipole, Da:	3.43
IP(EA), eV:	-9.84(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(3-cyanothiolan-3-yl)-5-iodobenzamide

Drug info:

PubChemData

Smile

CC(C)(C#N)NC(=O)C1=C(C=CC(=C1)I)Br

DOS

IR

Vibrations