Geometry & MOs

Info

ID:	244107
PubChem CID:	99313678
Reduced:	BrFON5H15C20 (1)
Stoich.:	ABCD5E15F20 (1)
Weight, g/mol:	378.97902
ΔH_f, kcal/mol:	50.15
Dipole, Da:	5.08
IP(EA), eV:	-8.79(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=NC(=C1NC(=O)C2=CC=C(C=C2)N3C=C(C=N3)Br)C4=CC=C(C=C4)F

DOS

IR

Vibrations