Geometry & MOs

Info

ID:	235811
PubChem CID:	92710698
Reduced:	SO3N6C23H30 (1)
Stoich.:	AB3C6D23E30 (1)
Weight, g/mol:	470.21001
ΔH_f, kcal/mol:	-52.26
Dipole, Da:	5.63
IP(EA), eV:	-8.21(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)C(=O)[C@@H]3CCCN(C3)C4=NN=C(S4)N5CCCC5=O

DOS

IR

Vibrations