Geometry & MOs

Info

ID:	39101
PubChem CID:	8139699
Reduced:	N2O3C21H26 (1)
Stoich.:	A2B3C21D26 (1)
Weight, g/mol:	408.05467
ΔH_f, kcal/mol:	-59.09
Dipole, Da:	5.28
IP(EA), eV:	-8.32(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)/C=C/C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations