Geometry & MOs

Info

ID:	312453
PubChem CID:	126605356
Reduced:	PN2O4C10H17 (1)
Stoich.:	AB2C4D10E17 (1)
Weight, g/mol:	253.04425
ΔH_f, kcal/mol:	-176.14
Dipole, Da:	3.17
IP(EA), eV:	-9.13(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-sulfanylethoxycarbonylamino)ethyl 3-sulfanylpropanoate

Drug info:

PubChemData

Smile

CCOP(C1=CN(N=C1)CCC(=O)O)OCC

DOS

IR

Vibrations