Geometry & MOs

Info

ID:	68866
PubChem CID:	46509793
Reduced:	FSN4O4H19C23 (1)
Stoich.:	ABC4D4E19F23 (1)
Weight, g/mol:	448.156912
ΔH_f, kcal/mol:	-79.69
Dipole, Da:	4.53
IP(EA), eV:	-9.43(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 1,3-dimethyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=C(C=C4)F

DOS

IR

Vibrations