Geometry & MOs

Info

ID:	361704
PubChem CID:	127304419
Reduced:	ClO2N5C19H22 (1)
Stoich.:	AB2C5D19E22 (1)
Weight, g/mol:	381.183461
ΔH_f, kcal/mol:	10.14
Dipole, Da:	2.83
IP(EA), eV:	-8.69(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)CN3C=CC4=C3C=C(C=C4)Cl

DOS

IR

Vibrations