Geometry & MOs

Info

ID:	68125
PubChem CID:	46507795
Reduced:	SO4N5H19C21 (1)
Stoich.:	AB4C5D19E21 (1)
Weight, g/mol:	424.120526
ΔH_f, kcal/mol:	-24.24
Dipole, Da:	5.77
IP(EA), eV:	-8.66(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C2=CN3C(=NN=C3SCC(=O)NCC4=CC=CO4)C=C2

DOS

IR

Vibrations