Geometry & MOs

Info

ID:	63984
PubChem CID:	26759619
Reduced:	NO5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	348.087685
ΔH_f, kcal/mol:	-180.59
Dipole, Da:	5.33
IP(EA), eV:	-8.92(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(2-chloropyridin-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCCC1=CC=C(C=C1)OC)OC(=O)CC2=CC=C(C=C2)OC

DOS

IR

Vibrations