Geometry & MOs

Info

ID:	62182
PubChem CID:	26717899
Reduced:	ION2Cl3H6C14 (1)
Stoich.:	ABC2D3E6F14 (1)
Weight, g/mol:	445.90858
ΔH_f, kcal/mol:	36.54
Dipole, Da:	7.17
IP(EA), eV:	-9.64(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-2-iodo-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(=O)C2=C(C(=CC(=C2)Cl)Cl)I)Cl)C#N

DOS

IR

Vibrations