Geometry & MOs

Info

ID:	69175
PubChem CID:	46530296
Reduced:	FNOH6C7 (3)
Stoich.:	ABCD6E7 (3)
Weight, g/mol:	434.141262
ΔH_f, kcal/mol:	-209.9
Dipole, Da:	4.86
IP(EA), eV:	-9.08(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)C2=C(N(N=C2)C3=CC=CC(=C3)C(F)(F)F)C

DOS

IR

Vibrations