Geometry & MOs

Info

ID:	235809
PubChem CID:	92710695
Reduced:	SO2N5C18H27 (1)
Stoich.:	AB2C5D18E27 (1)
Weight, g/mol:	485.184524
ΔH_f, kcal/mol:	-56.11
Dipole, Da:	7.36
IP(EA), eV:	-8.16(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)[C@H]2CCCN(C2)C3=NN=C(S3)N4CCCC4=O

DOS

IR

Vibrations