Geometry & MOs

Info

ID:	365875
PubChem CID:	127319125
Reduced:	SO2N5C20H25 (1)
Stoich.:	AB2C5D20E25 (1)
Weight, g/mol:	369.162332
ΔH_f, kcal/mol:	-33.73
Dipole, Da:	3.5
IP(EA), eV:	-8.64(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CCN(CC1)C(=O)NC2=CC(=NC=C2)SC3=CC=CC=N3

DOS

IR

Vibrations