Geometry & MOs

Info

ID:	244928
PubChem CID:	99431608
Reduced:	N2F3O4C17H19 (1)
Stoich.:	A2B3C4D17E19 (1)
Weight, g/mol:	466.099655
ΔH_f, kcal/mol:	-326.0
Dipole, Da:	4.45
IP(EA), eV:	-10.03(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]benzamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1=O)CCC(=O)NCC[C@](C2=CC=CC=C2)(C(F)(F)F)O

DOS

IR

Vibrations