Geometry & MOs

Info

ID:	414656
PubChem CID:	135087615
Reduced:	O2S2N4C17H22 (1)
Stoich.:	A2B2C4D17E22 (1)
Weight, g/mol:	323.140055
ΔH_f, kcal/mol:	-10.94
Dipole, Da:	6.78
IP(EA), eV:	-8.57(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-(5-chloropyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)S(=O)(=O)C4=CC=CS4

DOS

IR

Vibrations