Geometry & MOs

Info

ID:	359347
PubChem CID:	127298396
Reduced:	N3O3C23H31 (1)
Stoich.:	A3B3C23D31 (1)
Weight, g/mol:	383.144967
ΔH_f, kcal/mol:	-104.36
Dipole, Da:	4.78
IP(EA), eV:	-8.85(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylpiperazin-1-yl)-2-[1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]piperidin-4-yl]ethanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CC2CCN(CC2)C(=O)CCC3=CC4=CC=CC=C4O3

DOS

IR

Vibrations