Geometry & MOs

Info

ID:	373185
PubChem CID:	131311240
Reduced:	BrNOF3C9H9 (1)
Stoich.:	ABCD3E9F9 (1)
Weight, g/mol:	360.89476
ΔH_f, kcal/mol:	-177.46
Dipole, Da:	4.75
IP(EA), eV:	-9.56(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,6-dibromophenol

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)[C@@H](C(F)(F)F)N)Br

DOS

IR

Vibrations