Geometry & MOs

Info

ID:	153678
PubChem CID:	56312969
Reduced:	F3N3O4H20C21 (1)
Stoich.:	A3B3C4D20E21 (1)
Weight, g/mol:	357.087116
ΔH_f, kcal/mol:	-210.89
Dipole, Da:	3.85
IP(EA), eV:	-8.82(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NCC2=NC(=NO2)C3=CC=CC=C3)OCC(F)(F)F

DOS

IR

Vibrations