Geometry & MOs

Info

ID:	35675
PubChem CID:	7980183
Reduced:	NCl2O4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	381.053463
ΔH_f, kcal/mol:	-137.76
Dipole, Da:	4.67
IP(EA), eV:	-9.44(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)COC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations