Geometry & MOs

Info

ID:	36957
PubChem CID:	8015355
Reduced:	NSO6C21H23 (1)
Stoich.:	ABC6D21E23 (1)
Weight, g/mol:	319.037813
ΔH_f, kcal/mol:	-210.96
Dipole, Da:	5.42
IP(EA), eV:	-8.54(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-methoxyacetate

Drug info:

PubChemData

Smile

COCC(=O)OCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)C3=CC=CC=C3OC

DOS

IR

Vibrations