Geometry & MOs

Info

ID:	272724
PubChem CID:	103753300
Reduced:	IN2O3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	313.95247
ΔH_f, kcal/mol:	-33.75
Dipole, Da:	5.72
IP(EA), eV:	-10.02(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCCCC1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])I

DOS

IR

Vibrations