Geometry & MOs

Info

ID:	164165
PubChem CID:	74382160
Reduced:	OSF4N4H18C19 (1)
Stoich.:	ABC4D4E18F19 (1)
Weight, g/mol:	440.129395
ΔH_f, kcal/mol:	-153.51
Dipole, Da:	7.56
IP(EA), eV:	-9.33(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-(4-fluoro-2-methylpyrazol-3-yl)-5-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)F)C2=CSC(=C2)C(=O)NC(CC3=CC=CC=C3C(F)(F)F)CN

DOS

IR

Vibrations