Geometry & MOs

Info

ID:	244849
PubChem CID:	99431470
Reduced:	SN2F3O3C22H23 (1)
Stoich.:	AB2C3D3E22F23 (1)
Weight, g/mol:	410.091198
ΔH_f, kcal/mol:	-251.03
Dipole, Da:	4.6
IP(EA), eV:	-8.53(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(furan-2-yl)-5-methyl-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)N2C[C@@H](CC2=O)C(=O)NCC[C@](C3=CC=CC=C3)(C(F)(F)F)O

DOS

IR

Vibrations