Geometry & MOs

Info

ID:	442599
PubChem CID:	135253243
Reduced:	ClO2N5C22H26 (1)
Stoich.:	AB2C5D22E26 (1)
Weight, g/mol:	432.102289
ΔH_f, kcal/mol:	-27.46
Dipole, Da:	3.12
IP(EA), eV:	-8.68(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-(1,1-dioxothian-4-yl)-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=CN=C3C(=C2Cl)C(=NN3C4CCN(CC4)CCO)C

DOS

IR

Vibrations