Geometry & MOs

Info

ID:	241312
PubChem CID:	96022649
Reduced:	FN2O2C16H23 (1)
Stoich.:	AB2C2D16E23 (1)
Weight, g/mol:	296.117235
ΔH_f, kcal/mol:	-139.95
Dipole, Da:	5.79
IP(EA), eV:	-9.06(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-acetamido-3-[(1R)-8-fluoro-7-hydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)C[C@H]([C@@H]1C2=C(CCN1)C=CC(=C2F)O)NC(=O)C

DOS

IR

Vibrations