Geometry & MOs

Info

ID:	14729
PubChem CID:	419158
Reduced:	N2O2S2C15H16 (1)
Stoich.:	A2B2C2D15E16 (1)
Weight, g/mol:	320.06532
ΔH_f, kcal/mol:	-30.81
Dipole, Da:	4.31
IP(EA), eV:	-9.4(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(3-acetylsulfanyl-2-phthalazin-1-ylpropyl) ethanethioate

Drug info:

PubChemData

Smile

CC(=O)SCC(CSC(=O)C)C1=NN=CC2=CC=CC=C21

DOS

IR

Vibrations