Geometry & MOs

Info

ID:	69126
PubChem CID:	46519317
Reduced:	ClFNO4H13C18 (1)
Stoich.:	ABCD4E13F18 (1)
Weight, g/mol:	438.11619
ΔH_f, kcal/mol:	-153.71
Dipole, Da:	3.31
IP(EA), eV:	-9.06(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-fluoro-3-[(1-propan-2-yl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)F)NC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2

DOS

IR

Vibrations