Geometry & MOs

Info

ID:	68961
PubChem CID:	46513744
Reduced:	N2O2S2H20C21 (1)
Stoich.:	A2B2C2D20E21 (1)
Weight, g/mol:	444.179755
ΔH_f, kcal/mol:	-23.42
Dipole, Da:	8.42
IP(EA), eV:	-8.62(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C=C(S2)C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=CS4

DOS

IR

Vibrations