Geometry & MOs

Info

ID:	13998
PubChem CID:	401375
Reduced:	SO2N4H26C35 (1)
Stoich.:	AB2C4D26E35 (1)
Weight, g/mol:	566.177647
ΔH_f, kcal/mol:	105.06
Dipole, Da:	6.72
IP(EA), eV:	-9.01(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[naphthalene-1-carbonyl(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C(=O)N(CC3=CN=CC=C3)C(=S)N(CC4=CN=CC=C4)C(=O)C5=CC=CC6=CC=CC=C65

DOS

IR

Vibrations