Geometry & MOs

Info

ID:	238667
PubChem CID:	92765012
Reduced:	OSN7C26H35 (1)
Stoich.:	ABC7D26E35 (1)
Weight, g/mol:	479.24673
ΔH_f, kcal/mol:	59.32
Dipole, Da:	4.01
IP(EA), eV:	-8.33(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C2=NN=C(S2)N3C=CC=C3)C(=O)NCCCN4CCN(CC4)CC5=CC=CC=C5

DOS

IR

Vibrations