Geometry & MOs

Info

ID:	272756
PubChem CID:	103755628
Reduced:	FOBr2N2H7C12 (1)
Stoich.:	ABC2D2E7F12 (1)
Weight, g/mol:	241.013282
ΔH_f, kcal/mol:	-30.81
Dipole, Da:	5.32
IP(EA), eV:	-9.23(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)Br)C(=O)NC2=CC(=C(C=C2)F)Br

DOS

IR

Vibrations