Geometry & MOs

Info

ID:	37439
PubChem CID:	8021081
Reduced:	ClN2O5H17C19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	367.064507
ΔH_f, kcal/mol:	-91.36
Dipole, Da:	4.05
IP(EA), eV:	-9.05(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-(4-chloro-2-methylphenoxy)acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OCC(=O)OCC2=NC(=NO2)C3=CC(=CC=C3)OC

DOS

IR

Vibrations