Geometry & MOs

Info

ID:	354325
PubChem CID:	127286451
Reduced:	SN3O4C19H25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	363.161663
ΔH_f, kcal/mol:	-160.87
Dipole, Da:	6.52
IP(EA), eV:	-9.32(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2CCN(CC2)C(=O)NC3CCS(=O)(=O)C4=CC=CC=C34

DOS

IR

Vibrations