Geometry & MOs

Info

ID:	26436
PubChem CID:	647731
Reduced:	S2N7C21H25 (1)
Stoich.:	A2B7C21D25 (1)
Weight, g/mol:	437.19978
ΔH_f, kcal/mol:	144.44
Dipole, Da:	7.29
IP(EA), eV:	-8.85(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]pentyl]piperazin-1-yl]-1,3-benzothiazole

Drug info:

PubChemData

Smile

CCCC(C1=NN=NN1CC2=CC=CS2)N3CCN(CC3)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations