Geometry & MOs

Info

ID:	68855
PubChem CID:	46509459
Reduced:	ClN4O4H23C25 (1)
Stoich.:	AB4C4D23E25 (1)
Weight, g/mol:	462.136176
ΔH_f, kcal/mol:	-65.72
Dipole, Da:	7.58
IP(EA), eV:	-8.72(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 1,3-dimethyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)OC(C)C(=O)NC4=C(C=CC(=C4)Cl)OC)C

DOS

IR

Vibrations