Geometry & MOs

Info

ID:	232732
PubChem CID:	87576837
Reduced:	S2N6C23H34 (1)
Stoich.:	A2B6C23D34 (1)
Weight, g/mol:	458.228637
ΔH_f, kcal/mol:	85.37
Dipole, Da:	5.0
IP(EA), eV:	-8.93(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-bis[5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-pyrazol-4-yl]pentane-1,5-dithiol

Drug info:

PubChemData

Smile

CN1CCC=C(C1)C2=C(C=NN2)C(CC(CS)C3=C(NN=C3)C4=CCCN(C4)C)CS

DOS

IR

Vibrations