Geometry & MOs

Info

ID:	274316
PubChem CID:	103808532
Reduced:	BrFON2C14H18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	328.96337
ΔH_f, kcal/mol:	-90.85
Dipole, Da:	6.26
IP(EA), eV:	-8.87(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-N-(2-bromo-5-fluorophenyl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C(CC1)N)C(=O)NC2=C(C=CC(=C2)F)Br

DOS

IR

Vibrations