Geometry & MOs

Info

ID:	354286
PubChem CID:	127286250
Reduced:	SO2N4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	360.161997
ΔH_f, kcal/mol:	-54.51
Dipole, Da:	3.04
IP(EA), eV:	-8.33(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=CC(=C(C=C2S1)NC(=O)N3CCCC3CN4CCCC4)OC

DOS

IR

Vibrations