Geometry & MOs

Info

ID:	244850
PubChem CID:	99431472
Reduced:	SN2F3O3H17C19 (1)
Stoich.:	AB2C3D3E17F19 (1)
Weight, g/mol:	410.091198
ΔH_f, kcal/mol:	-208.64
Dipole, Da:	3.64
IP(EA), eV:	-9.29(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)C2=CC=CO2)C(=O)NCC[C@@](C3=CC=CC=C3)(C(F)(F)F)O

DOS

IR

Vibrations