Geometry & MOs

Info

ID:	83879
PubChem CID:	49862156
Reduced:	OSN4H20C21 (1)
Stoich.:	ABC4D20E21 (1)
Weight, g/mol:	499.210505
ΔH_f, kcal/mol:	77.84
Dipole, Da:	2.29
IP(EA), eV:	-8.71(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(1,3-thiazol-4-yl)phenyl]cyclohexyl]amino]butan-2-yl]acetamide

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H](C2CNC3=NC(=CS3)C4=CC=CC=N4)CN1C(=O)C5=CC=CC=C5

DOS

IR

Vibrations