Geometry & MOs

Info

ID:	244832
PubChem CID:	99431403
Reduced:	N2F3O4C18H25 (1)
Stoich.:	A2B3C4D18E25 (1)
Weight, g/mol:	422.102431
ΔH_f, kcal/mol:	-353.3
Dipole, Da:	6.29
IP(EA), eV:	-9.49(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC[C@](C1=CC=CC=C1)(C(F)(F)F)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations