Geometry & MOs

Info

ID:	356310
PubChem CID:	127291383
Reduced:	SO3N5C18H27 (1)
Stoich.:	AB3C5D18E27 (1)
Weight, g/mol:	395.199111
ΔH_f, kcal/mol:	-67.48
Dipole, Da:	5.78
IP(EA), eV:	-8.96(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)C3CSCN3C(=O)C4CCCC4

DOS

IR

Vibrations