Geometry & MOs

Info

ID:	373164
PubChem CID:	131310919
Reduced:	BrClSF2H6C10 (1)
Stoich.:	ABCD2E6F10 (1)
Weight, g/mol:	239.98983
ΔH_f, kcal/mol:	-75.38
Dipole, Da:	1.98
IP(EA), eV:	-9.06(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-amino-3-(2-bromo-6-hydroxyphenyl)propanenitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C(=CS2)CBr)C(=C1C(F)F)Cl

DOS

IR

Vibrations