Geometry & MOs

Info

ID:	363715
PubChem CID:	127313333
Reduced:	SO2N4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	399.172896
ΔH_f, kcal/mol:	4.36
Dipole, Da:	2.36
IP(EA), eV:	-9.06(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CC(C1=NC(=NO1)C2=CC=CS2)N3CCN(CC3)C(=O)CC4=CCCCC4

DOS

IR

Vibrations