Geometry & MOs

Info

ID:	437372
PubChem CID:	135226181
Reduced:	ClSO3N4F7H22C28 (1)
Stoich.:	ABC3D4E7F22G28 (1)
Weight, g/mol:	191.996904
ΔH_f, kcal/mol:	-378.37
Dipole, Da:	14.27
IP(EA), eV:	-9.19(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(trifluoromethyl)-1H-thieno[3,2-c]pyrazole

Drug info:

PubChemData

Smile

C1[C@H](CN([C@@H]1C(=O)NC2=CC=CC(=C2F)C3=CC=CC=C3Cl)C(=O)CN4C=C(C5=C4C=C(C=C5)S(F)(F)(F)(F)F)C(=O)N)F

DOS

IR

Vibrations