Geometry & MOs

Info

ID:	417154
PubChem CID:	135091463
Reduced:	OSN3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	293.119798
ΔH_f, kcal/mol:	-10.97
Dipole, Da:	2.18
IP(EA), eV:	-9.25(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CCCC1=NC(=C(S1)CNC(=O)C2=CC=CN2)C

DOS

IR

Vibrations