Geometry & MOs

Info

ID:	29311
PubChem CID:	832921
Reduced:	SO2N3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	296.127326
ΔH_f, kcal/mol:	-12.78
Dipole, Da:	6.21
IP(EA), eV:	-8.62(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(propanoylamino)-N-(pyridin-3-ylmethylideneamino)benzamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)C(=O)NN=CC2=CC=C(C=C2)SC

DOS

IR

Vibrations