Geometry & MOs

Info

ID:	404249
PubChem CID:	135065598
Reduced:	SO2N3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	374.039499
ΔH_f, kcal/mol:	-21.52
Dipole, Da:	5.44
IP(EA), eV:	-8.35(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N'-bis(1,3-benzodioxol-4-yl)propanedithioamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)SC)C(=O)NC2=CC=CC=C2OC

DOS

IR

Vibrations