Geometry & MOs

Info

ID:	424551
PubChem CID:	135123097
Reduced:	BrOSN4F5H8C15 (1)
Stoich.:	ABCD4E5F8G15 (1)
Weight, g/mol:	463.93659
ΔH_f, kcal/mol:	-177.76
Dipole, Da:	5.86
IP(EA), eV:	-9.39(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(3-bromo-2,6-difluorophenyl)-1,2,4-thiadiazol-5-yl]-2-(trifluoromethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CNC(C(=C1)C(=O)N)(C2=NC(=NS2)C3=C(C=CC(=C3F)Br)F)C(F)(F)F

DOS

IR

Vibrations