Geometry & MOs

Info

ID:	235810
PubChem CID:	92710696
Reduced:	SO4N7C22H27 (1)
Stoich.:	AB4C7D22E27 (1)
Weight, g/mol:	470.21001
ΔH_f, kcal/mol:	-29.68
Dipole, Da:	10.63
IP(EA), eV:	-8.58(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(3R)-3-[4-(2-methoxyphenyl)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)C5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations