Geometry & MOs

Info

ID:	235821
PubChem CID:	92710726
Reduced:	SO3N6C23H30 (1)
Stoich.:	AB3C6D23E30 (1)
Weight, g/mol:	351.172896
ΔH_f, kcal/mol:	-58.24
Dipole, Da:	6.54
IP(EA), eV:	-8.43(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-butyl-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)[C@@H]3CCCN(C3)C4=NN=C(S4)N5CCCC5=O

DOS

IR

Vibrations