Geometry & MOs

Info

ID:	360474
PubChem CID:	127301119
Reduced:	ClSO3N4H13C16 (1)
Stoich.:	ABC3D4E13F16 (1)
Weight, g/mol:	349.066717
ΔH_f, kcal/mol:	-23.14
Dipole, Da:	4.85
IP(EA), eV:	-8.8(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-cyano-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CSC2=NC(=C(N21)C#N)NC(=O)CC3=CC4=C(C(=C3)Cl)OCCO4

DOS

IR

Vibrations