Geometry & MOs

Info

ID:	243254
PubChem CID:	99217958
Reduced:	SO2F3N3H20C24 (1)
Stoich.:	AB2C3D3E20F24 (1)
Weight, g/mol:	466.047809
ΔH_f, kcal/mol:	-140.35
Dipole, Da:	3.79
IP(EA), eV:	-8.9(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-5-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)N(CC(F)(F)F)C(=O)CCC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations