Geometry & MOs

Info

ID:	164146
PubChem CID:	74382092
Reduced:	OSF3N4H23C25 (1)
Stoich.:	ABC3D4E23F25 (1)
Weight, g/mol:	456.099845
ΔH_f, kcal/mol:	-89.67
Dipole, Da:	4.58
IP(EA), eV:	-8.95(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C2=CC=CC=C2)C3=CSC(=C3)C(=O)NC(CC4=CC=CC=C4C(F)(F)F)CN

DOS

IR

Vibrations