Geometry & MOs

Info

ID:	13999
PubChem CID:	401376
Reduced:	SO2N4H26C35 (1)
Stoich.:	AB2C4D26E35 (1)
Weight, g/mol:	566.177647
ΔH_f, kcal/mol:	99.26
Dipole, Da:	5.54
IP(EA), eV:	-8.98(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[naphthalene-2-carbonyl(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C(=O)N(CC3=CN=CC=C3)C(=S)N(CC4=CN=CC=C4)C(=O)C5=CC6=CC=CC=C6C=C5

DOS

IR

Vibrations