Geometry & MOs

Info

ID:	363071
PubChem CID:	127310102
Reduced:	SO2N4C18H24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	390.14741
ΔH_f, kcal/mol:	15.3
Dipole, Da:	5.18
IP(EA), eV:	-9.0(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)C3=C(C=CS3)C4CC4

DOS

IR

Vibrations