Geometry & MOs

Info

ID:	354305
PubChem CID:	127286269
Reduced:	SO2N4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	360.161997
ΔH_f, kcal/mol:	-44.48
Dipole, Da:	6.04
IP(EA), eV:	-8.95(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC1=C2C(=CC=C1)SC(=N2)NC(=O)N3CCCC3CN4CCCC4

DOS

IR

Vibrations