Geometry & MOs

Info

ID:	89855
PubChem CID:	49965053
Reduced:	NO6H19C24 (1)
Stoich.:	AB6C19D24 (1)
Weight, g/mol:	390.078662
ΔH_f, kcal/mol:	-94.81
Dipole, Da:	7.74
IP(EA), eV:	-8.65(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2-(3-cyano-6-pyridin-4-ylpyridin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

C1[C@@H]2[C@H]3[C@H]([C@@H]4C5=CC=CC=C5C=CN4[C@H]3C(=O)C6=CC7=C(C=C6)OCO7)C(=O)[C@H](O1)O2

DOS

IR

Vibrations