Geometry & MOs

Info

ID:	242241
PubChem CID:	96079742
Reduced:	FN2O2H11C14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	258.080456
ΔH_f, kcal/mol:	-53.95
Dipole, Da:	5.26
IP(EA), eV:	-8.69(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-(5-amino-1,3-benzoxazol-2-yl)-(2-fluorophenyl)methanol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[C@@H](C2=NC3=C(O2)C=C(C=C3)N)O)F

DOS

IR

Vibrations