Geometry & MOs

Info

ID:	426697
PubChem CID:	135153413
Reduced:	SF3O3N5C23H32 (1)
Stoich.:	AB3C3D5E23F32 (1)
Weight, g/mol:	437.020357
ΔH_f, kcal/mol:	-208.08
Dipole, Da:	10.14
IP(EA), eV:	-9.22(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carbothioamide

Drug info:

PubChemData

Smile

C[C@H](CC(=O)NOC)C1=CC(=C(C=C1)N(CC(C)C)C2CCOCC2)NC3=NC(=NS3)C(F)(F)F

DOS

IR

Vibrations