Geometry & MOs

Info

ID:	197889
PubChem CID:	79011695
Reduced:	ON6C12H16 (1)
Stoich.:	AB6C12D16 (1)
Weight, g/mol:	268.122321
ΔH_f, kcal/mol:	53.4
Dipole, Da:	7.8
IP(EA), eV:	-9.79(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-fluorobenzoate

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NC1=CC=CC=C1N2C=NN=N2)N

DOS

IR

Vibrations