Geometry & MOs

Info

ID:	122238
PubChem CID:	50798730
Reduced:	S2O4N5H19C20 (1)
Stoich.:	A2B4C5D19E20 (1)
Weight, g/mol:	420.135304
ΔH_f, kcal/mol:	-17.71
Dipole, Da:	5.58
IP(EA), eV:	-8.51(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-6-yl)oxyacetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC(C)C(=O)NC2=NN=C(S2)SCC3=CC(=O)N4C(=N3)C=C(O4)C

DOS

IR

Vibrations