Geometry & MOs

Info

ID:	137500
PubChem CID:	52214929
Reduced:	SO2N3C19H24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	296.113412
ΔH_f, kcal/mol:	12.3
Dipole, Da:	4.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.096100
Charge, e:	-1

Chem-info

IUPAC name:

2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]acetate

Drug info:

PubChemData

Smile

C[C@H]1CCCC[NH+]1CC(=O)N2[C@@H](CC(=N2)C3=CC=CS3)C4=CC=CO4

DOS

IR

Vibrations