Geometry & MOs

Info

ID:	138553
PubChem CID:	52384651
Reduced:	ON4C16H23 (1)
Stoich.:	AB4C16D23 (1)
Weight, g/mol:	317.131031
ΔH_f, kcal/mol:	53.85
Dipole, Da:	4.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.887836
Charge, e:	0

Chem-info

IUPAC name:

2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[2-[(2R)-3-methylbutan-2-yl]pyrazol-3-yl]acetamide

Drug info:

PubChemData

Smile

C[C@H](C[NH2+]CC1=CC(=CC=C1)OCC(=C)C)N2C=NC=N2

DOS

IR

Vibrations