Geometry & MOs

Info

ID:	245635
PubChem CID:	99455703
Reduced:	F3O3N6C19H25 (1)
Stoich.:	A3B3C6D19E25 (1)
Weight, g/mol:	377.177313
ΔH_f, kcal/mol:	-194.97
Dipole, Da:	3.87
IP(EA), eV:	-9.09(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)[C@@H](C)CNC(=O)C2=C(N(N=C2)C3=NN=C(C=C3)OC)C(F)(F)F

DOS

IR

Vibrations