Geometry & MOs

Info

ID:	35754
PubChem CID:	7980286
Reduced:	NO4H19C20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	368.033062
ΔH_f, kcal/mol:	-98.13
Dipole, Da:	5.9
IP(EA), eV:	-8.88(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(3,5-dichloropyridin-2-yl)amino]-1-oxopropan-2-yl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C(=CN2)C(=O)COC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations