Geometry & MOs

Info

ID:	347251
PubChem CID:	127271792
Reduced:	OS2N5C16H21 (1)
Stoich.:	AB2C5D16E21 (1)
Weight, g/mol:	377.134403
ΔH_f, kcal/mol:	58.33
Dipole, Da:	2.72
IP(EA), eV:	-8.63(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3CC3)C4=CC=CS4

DOS

IR

Vibrations