Geometry & MOs

Info

ID:	63705
PubChem CID:	26759016
Reduced:	NF3O5H18C19 (1)
Stoich.:	AB3C5D18E19 (1)
Weight, g/mol:	309.157623
ΔH_f, kcal/mol:	-317.85
Dipole, Da:	4.79
IP(EA), eV:	-8.9(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 3,4-dimethoxybenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1C(F)(F)F)OC(=O)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations