Geometry & MOs

Info

ID:	431561
PubChem CID:	135171649
Reduced:	SF3O4N5C29H32 (1)
Stoich.:	AB3C4D5E29F32 (1)
Weight, g/mol:	321.01951
ΔH_f, kcal/mol:	-234.33
Dipole, Da:	9.24
IP(EA), eV:	-9.24(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(fluoromethyl)-N-[4-(trifluoromethoxy)phenyl]thiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC=C1C2=CC(=C(C=C2)N(CC(C)C)C3CC4(C3)CN(C4)C(=O)O)NC5=NC(=NS5)C(F)(F)F

DOS

IR

Vibrations