Geometry & MOs

Info

ID:	383228
PubChem CID:	134974843
Reduced:	NPSO3C15H24 (1)
Stoich.:	ABCD3E15F24 (1)
Weight, g/mol:	375.072964
ΔH_f, kcal/mol:	-163.86
Dipole, Da:	3.5
IP(EA), eV:	-8.51(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(6-chloropyridin-3-yl)-1-ethoxycarbothioylsulfanylpropyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)SN1CC[C@]1(C2=CC=CC=C2)P(=O)(OC)OC

DOS

IR

Vibrations