Geometry & MOs

Info

ID:	68850
PubChem CID:	46509415
Reduced:	SO3N4H16C22 (1)
Stoich.:	AB3C4D16E22 (1)
Weight, g/mol:	421.175004
ΔH_f, kcal/mol:	51.03
Dipole, Da:	11.09
IP(EA), eV:	-9.27(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 1,3-dimethyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=NC(=N2)C(=O)OCCOC3=CC=C(C=C3)C#N)C4=CC=CS4

DOS

IR

Vibrations