Geometry & MOs

Info

ID:	35820
PubChem CID:	7980369
Reduced:	NCl2O4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	419.103873
ΔH_f, kcal/mol:	-140.2
Dipole, Da:	3.06
IP(EA), eV:	-9.33(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations