Geometry & MOs

Info

ID:	243260
PubChem CID:	99217977
Reduced:	SN2F3O4H15C18 (1)
Stoich.:	AB2C3D4E15F18 (1)
Weight, g/mol:	476.110551
ΔH_f, kcal/mol:	-251.95
Dipole, Da:	4.99
IP(EA), eV:	-9.04(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=C(C=C2)OCC(=O)N(CC(F)(F)F)C3=NC(=CS3)C

DOS

IR

Vibrations