Geometry & MOs

Info

ID:	235840
PubChem CID:	92710813
Reduced:	SO3N5C21H27 (1)
Stoich.:	AB3C5D21E27 (1)
Weight, g/mol:	454.215095
ΔH_f, kcal/mol:	-66.5
Dipole, Da:	5.12
IP(EA), eV:	-8.44(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)[C@H]2CCCN(C2)C3=NN=C(S3)N4CCCCC4=O

DOS

IR

Vibrations