Geometry & MOs

Info

ID:	268584
PubChem CID:	103600085
Reduced:	ClSN3O3H6C12 (1)
Stoich.:	ABC3D3E6F12 (1)
Weight, g/mol:	456.95382
ΔH_f, kcal/mol:	34.08
Dipole, Da:	3.73
IP(EA), eV:	-9.88(-2.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(2-butan-2-ylphenyl)-2-iodobenzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)NC(=O)C2=CC=C(S2)[N+](=O)[O-])C#N

DOS

IR

Vibrations