Geometry & MOs

Info

ID:	416527
PubChem CID:	135089574
Reduced:	NSF3O6C13H14 (1)
Stoich.:	ABC3D6E13F14 (1)
Weight, g/mol:	329.131031
ΔH_f, kcal/mol:	-391.09
Dipole, Da:	2.3
IP(EA), eV:	-9.75(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine

Drug info:

PubChemData

Smile

C1CN(C[C@@H]([C@@H]1O)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations