Geometry & MOs

Info

ID:	297055
PubChem CID:	117607344
Reduced:	O3N6C19H26 (1)
Stoich.:	A3B6C19D26 (1)
Weight, g/mol:	452.16306
ΔH_f, kcal/mol:	-61.71
Dipole, Da:	4.71
IP(EA), eV:	-8.54(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[3-[(2-methyl-1,1-dioxo-3H-1,2-benzothiazol-5-yl)amino]-4-oxo-2H-pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]acetonitrile

Drug info:

PubChemData

Smile

CCCCOC1=NC=CC2=C1C(=NN2C3(CCN(CC3)C(=O)OC)CC#N)N

DOS

IR

Vibrations