Geometry & MOs

Info

ID:	68854
PubChem CID:	46509455
Reduced:	SF2N2O4C18H22 (1)
Stoich.:	AB2C2D4E18F22 (1)
Weight, g/mol:	478.140783
ΔH_f, kcal/mol:	-275.74
Dipole, Da:	2.01
IP(EA), eV:	-9.61(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1,3-dimethyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC(=O)NC1CCCCC1)OC(=O)C2=CC=C(C=C2)SC(F)F

DOS

IR

Vibrations