Geometry & MOs

Info

ID:	196145
PubChem CID:	78788588
Reduced:	ClSO2N6H11C13 (1)
Stoich.:	ABC2D6E11F13 (1)
Weight, g/mol:	294.146724
ΔH_f, kcal/mol:	61.65
Dipole, Da:	7.74
IP(EA), eV:	-9.13(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxan-2-ylmethyl 2-(4-ethoxyphenoxy)acetate

Drug info:

PubChemData

Smile

C1=COC(=C1)C2=NN=C(N2N)SCC(=O)NC3=NC=C(C=C3)Cl

DOS

IR

Vibrations