Geometry & MOs

Info

ID:	162245
PubChem CID:	57394045
Reduced:	SO2N6C29H36 (1)
Stoich.:	AB2C6D29E36 (1)
Weight, g/mol:	465.201219
ΔH_f, kcal/mol:	-4.94
Dipole, Da:	3.75
IP(EA), eV:	-8.51(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)-1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)CCCCNC1=C2C(=NC(=N1)NC(=O)OCC)SC(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations