Geometry & MOs

Info

ID:	426528
PubChem CID:	135144909
Reduced:	N4O4C19H32 (1)
Stoich.:	A4B4C19D32 (1)
Weight, g/mol:	499.152555
ΔH_f, kcal/mol:	-154.3
Dipole, Da:	6.15
IP(EA), eV:	-8.93(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(cyanomethyl)-5-[4-oxo-3-(4-propan-2-ylsulfonylanilino)-2H-pyrazolo[4,3-c]pyridin-1-yl]oxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CONC(=O)N1CCC[C@H]1C2CCN(CC2)C3CC4(C3)CCN(C4)C(=O)O

DOS

IR

Vibrations