Geometry & MOs

Info

ID:	363017
PubChem CID:	127310042
Reduced:	SO4N5C15H25 (1)
Stoich.:	AB4C5D15E25 (1)
Weight, g/mol:	390.183795
ΔH_f, kcal/mol:	-114.1
Dipole, Da:	4.37
IP(EA), eV:	-8.84(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanone

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)CN3CCCS3(=O)=O

DOS

IR

Vibrations