Geometry & MOs

Info

ID:	424550
PubChem CID:	135123095
Reduced:	N3O4C18H25 (1)
Stoich.:	A3B4C18D25 (1)
Weight, g/mol:	465.95224
ΔH_f, kcal/mol:	-122.13
Dipole, Da:	9.17
IP(EA), eV:	-9.36(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(N=N1)COC(C2=CC(=C(C=C2)C)CO)C(C)(C)C(=O)O

DOS

IR

Vibrations