Geometry & MOs

Info

ID:	39214
PubChem CID:	8139927
Reduced:	ClN2O4H15C18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	388.109293
ΔH_f, kcal/mol:	-55.58
Dipole, Da:	1.73
IP(EA), eV:	-9.14(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl] 2-(3-methylphenoxy)acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations