Geometry & MOs

Info

ID:	363712
PubChem CID:	127313330
Reduced:	SO2N6C18H22 (1)
Stoich.:	AB2C6D18E22 (1)
Weight, g/mol:	376.077616
ΔH_f, kcal/mol:	51.45
Dipole, Da:	5.76
IP(EA), eV:	-8.9(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1C)C(=O)N2CCN(CC2)C(C)C3=NC(=NO3)C4=CC=CS4

DOS

IR

Vibrations