Geometry & MOs

Info

ID:	63883
PubChem CID:	26759405
Reduced:	NF3O5C20H20 (1)
Stoich.:	AB3C5D20E20 (1)
Weight, g/mol:	323.173273
ΔH_f, kcal/mol:	-326.74
Dipole, Da:	4.83
IP(EA), eV:	-8.57(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1C(F)(F)F)OC(=O)CC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations