Geometry & MOs

Info

ID:	137975
PubChem CID:	52293717
Reduced:	N3O3C23H30 (1)
Stoich.:	A3B3C23D30 (1)
Weight, g/mol:	351.032303
ΔH_f, kcal/mol:	-46.18
Dipole, Da:	4.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753875
Charge, e:	0

Chem-info

IUPAC name:

(3R)-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)butanamide

Drug info:

PubChemData

Smile

C1C[C@H](OC1)C[NH+]2CCCN(CC2)C(=O)C3=CC=C(C=C3)OCC4=CN=CC=C4

DOS

IR

Vibrations