Geometry & MOs

Info

ID:	181915
PubChem CID:	76813386
Reduced:	NS2O3H21C24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	486.13012
ΔH_f, kcal/mol:	1.13
Dipole, Da:	3.84
IP(EA), eV:	-8.57(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-isocyano-2-pyrazin-2-ylpyrazol-3-yl)hydrazinylidene]-N-(5-isocyanopyridin-2-yl)-3-oxonaphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)ON=C(CCSC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

DOS

IR

Vibrations