Geometry & MOs

Info

ID:	336552
PubChem CID:	127255559
Reduced:	BrFNO3H9C10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	344.139702
ΔH_f, kcal/mol:	-147.53
Dipole, Da:	4.24
IP(EA), eV:	-9.64(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)pyridin-3-yl]anilino]propane-1,2-diol

Drug info:

PubChemData

Smile

C1[C@@H](OC(=O)N1C2=C(C=CC(=C2)F)Br)CO

DOS

IR

Vibrations