Geometry & MOs

Info

ID:	288869
PubChem CID:	104327426
Reduced:	FNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	291.101919
ΔH_f, kcal/mol:	-179.91
Dipole, Da:	5.99
IP(EA), eV:	-10.22(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluoro-2-methylbenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(=O)N[C@@H](C(C)C)C(=O)O

DOS

IR

Vibrations