Geometry & MOs

Info

ID:	371861
PubChem CID:	131276069
Reduced:	BrNOSH4C6 (1)
Stoich.:	ABCDE4F6 (1)
Weight, g/mol:	275.97098
ΔH_f, kcal/mol:	16.58
Dipole, Da:	2.1
IP(EA), eV:	-9.88(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(5-bromo-2,3-difluoro-6-hydroxyphenyl)propanenitrile

Drug info:

PubChemData

Smile

C1=C(SC(=C1Br)CO)C#N

DOS

IR

Vibrations