Geometry & MOs

Info

ID:	372581
PubChem CID:	131300181
Reduced:	ClNSF2O3H8C10 (1)
Stoich.:	ABCD2E3F8G10 (1)
Weight, g/mol:	254.98949
ΔH_f, kcal/mol:	-179.07
Dipole, Da:	6.2
IP(EA), eV:	-10.44(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromo-4-hydroxy-5-methoxyphenyl)propanenitrile

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1OC(F)F)S(=O)(=O)Cl)C#N

DOS

IR

Vibrations