Geometry & MOs

Info

ID:	235835
PubChem CID:	92710767
Reduced:	FSO2N7C25H34 (1)
Stoich.:	ABC2D7E25F34 (1)
Weight, g/mol:	484.262046
ΔH_f, kcal/mol:	-71.2
Dipole, Da:	8.82
IP(EA), eV:	-8.16(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[3-[benzyl(propan-2-yl)amino]propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C2=NN=C(S2)N3CCCC3=O)C(=O)NCCCN4CCN(CC4)C5=CC=C(C=C5)F

DOS

IR

Vibrations