Geometry & MOs

Info

ID:	360489
PubChem CID:	127301134
Reduced:	SO2N6C17H22 (1)
Stoich.:	AB2C6D17E22 (1)
Weight, g/mol:	342.078662
ΔH_f, kcal/mol:	-19.92
Dipole, Da:	5.35
IP(EA), eV:	-8.83(-0.73)
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)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)N2CCC(CC2)C(=O)NC3=C(N4CCSC4=N3)C#N

DOS

IR

Vibrations