Geometry & MOs

Info

ID:	235818
PubChem CID:	92710718
Reduced:	SO4N6C24H30 (1)
Stoich.:	AB4C6D24E30 (1)
Weight, g/mol:	458.173625
ΔH_f, kcal/mol:	-84.7
Dipole, Da:	1.07
IP(EA), eV:	-8.3(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(3S)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C2=NN=C(S2)N3CCCC3=O)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations