Geometry & MOs

Info

ID:	158731
PubChem CID:	56465251
Reduced:	SN2O4H22C23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	409.21139
ΔH_f, kcal/mol:	-105.25
Dipole, Da:	3.36
IP(EA), eV:	-8.44(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-methylphenyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[3,4-b]pyridin-5-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C)NC(=O)C2=CC=CC(=C2)CS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations