Geometry & MOs

Info

ID:	282484
PubChem CID:	103928644
Reduced:	BrON2F3C13H16 (1)
Stoich.:	ABC2D3E13F16 (1)
Weight, g/mol:	278.163043
ΔH_f, kcal/mol:	-199.27
Dipole, Da:	6.43
IP(EA), eV:	-9.4(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-4-methylbenzoate

Drug info:

PubChemData

Smile

CC(C)(C)[C@H](C(=O)NC1=CC(=C(C=C1)Br)C(F)(F)F)N

DOS

IR

Vibrations