Geometry & MOs

Info

ID:	383230
PubChem CID:	134974845
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	347.041664
ΔH_f, kcal/mol:	-62.54
Dipole, Da:	7.73
IP(EA), eV:	-9.65(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(6-chloropyridin-3-yl)-2-ethoxycarbothioylsulfanylbutyl] acetate

Drug info:

PubChemData

Smile

C1COC2(O1)CC3C[C@@H]2C(C3=O)CCCCN=[N+]=[N-]

DOS

IR

Vibrations