Geometry & MOs

Info

ID:	35713
PubChem CID:	7980233
Reduced:	SN2O4C22H22 (1)
Stoich.:	AB2C4D22E22 (1)
Weight, g/mol:	262.095357
ΔH_f, kcal/mol:	-85.0
Dipole, Da:	3.15
IP(EA), eV:	-9.1(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-cyanoethylamino)-2-oxoethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N(C2=NC(=CS2)COC(=O)COC3=CC=CC=C3)C(=O)C

DOS

IR

Vibrations