Geometry & MOs

Info

ID:	70166
PubChem CID:	47208296
Reduced:	BrFOSN3C13H15 (1)
Stoich.:	ABCDE3F13G15 (1)
Weight, g/mol:	274.113984
ΔH_f, kcal/mol:	-45.54
Dipole, Da:	4.99
IP(EA), eV:	-9.03(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-tert-butylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=S)NNC(=O)C2=CC(=CC(=C2)Br)F

DOS

IR

Vibrations