Geometry & MOs

Info

ID:	43505
PubChem CID:	10321399
Reduced:	FON5C26H30 (1)
Stoich.:	ABC5D26E30 (1)
Weight, g/mol:	447.172896
ΔH_f, kcal/mol:	21.46
Dipole, Da:	3.96
IP(EA), eV:	-8.85(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzothiazol-5-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=C(C(=NO2)C3=CC=C(C=C3)F)C4=NC(=NC=C4)NC5CC6CCC5C6

DOS

IR

Vibrations