Geometry & MOs

Info

ID:	238668
PubChem CID:	92765015
Reduced:	OSN7C25H33 (1)
Stoich.:	ABC7D25E33 (1)
Weight, g/mol:	479.24673
ΔH_f, kcal/mol:	58.86
Dipole, Da:	5.07
IP(EA), eV:	-8.2(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-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)NCCN4CCN(CC4)CC5=CC=CC=C5

DOS

IR

Vibrations