Geometry & MOs

Info

ID:	244855
PubChem CID:	99431488
Reduced:	N2F3O3H21C24 (1)
Stoich.:	A2B3C3D21E24 (1)
Weight, g/mol:	373.107183
ΔH_f, kcal/mol:	-221.41
Dipole, Da:	3.77
IP(EA), eV:	-9.16(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCC[C@@](C3=CC=CC=C3)(C(F)(F)F)O

DOS

IR

Vibrations