Geometry & MOs

Info

ID:	324187
PubChem CID:	126677094
Reduced:	NCl2O2H11C14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	582.204526
ΔH_f, kcal/mol:	-67.65
Dipole, Da:	3.58
IP(EA), eV:	-9.05(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[4-chloro-2-[2-fluoro-5-[2-methoxyethyl(methyl)carbamoyl]phenyl]-5-methylphenoxy]methyl]pyrazolo[3,4-b]pyridine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C2=CC(=CC(=C2)Cl)C(=O)N)O

DOS

IR

Vibrations