Geometry & MOs

Info

ID:	167149
PubChem CID:	74787453
Reduced:	O2N5C29H34 (1)
Stoich.:	A2B5C29D34 (1)
Weight, g/mol:	180.02661
ΔH_f, kcal/mol:	36.29
Dipole, Da:	3.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.135183
Charge, e:	-1

Chem-info

IUPAC name:

(2,4-dimethyl-1,3-thiazol-5-yl)-trifluoroboranuide

Drug info:

PubChemData

Smile

CC(CNC(=O)CN1C=NC2=CC=CC=C21)OC3=CC=C(C=C3)C[NH+]4CCN(CC4)C5=CC=CC=C5

DOS

IR

Vibrations