Geometry & MOs

Info

ID:	337945
PubChem CID:	127258568
Reduced:	SCl2O3H14C15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	246.146724
ΔH_f, kcal/mol:	-100.93
Dipole, Da:	3.8
IP(EA), eV:	-9.1(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-ethoxy-2-oxoethoxy)butyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC(C1=CC=CS1)OC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations