Geometry & MOs

Info

ID:	372908
PubChem CID:	131306890
Reduced:	BrSN2O2H5C10 (1)
Stoich.:	ABC2D2E5F10 (1)
Weight, g/mol:	361.89307
ΔH_f, kcal/mol:	65.6
Dipole, Da:	3.73
IP(EA), eV:	-9.6(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-chloro-2-iodo-5-(trifluoromethoxy)pyridin-4-yl]acetonitrile

Drug info:

PubChemData

Smile

C1=C2C=C(SC2=CC(=C1CC#N)Br)[N+](=O)[O-]

DOS

IR

Vibrations