Geometry & MOs

Info

ID:	63095
PubChem CID:	26744234
Reduced:	SN3O3C17H27 (1)
Stoich.:	AB3C3D17E27 (1)
Weight, g/mol:	320.184841
ΔH_f, kcal/mol:	-130.52
Dipole, Da:	6.53
IP(EA), eV:	-9.34(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2S,4R)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-hydroxypyrrolidin-1-yl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@@H]1NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations