Geometry & MOs

Info

ID:	245523
PubChem CID:	99453666
Reduced:	ClSN2O4C20H23 (1)
Stoich.:	ABC2D4E20F23 (1)
Weight, g/mol:	461.169919
ΔH_f, kcal/mol:	-118.61
Dipole, Da:	2.81
IP(EA), eV:	-9.53(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,4-dimethoxyphenyl)methyl]-N-(4-ethyl-3-nitrophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=C(O2)C(=O)N3CCC[C@@H]3C4=CC=C(C=C4)Cl

DOS

IR

Vibrations