Geometry & MOs

Info

ID:	68964
PubChem CID:	46513934
Reduced:	N4O5H24C25 (1)
Stoich.:	A4B5C24D25 (1)
Weight, g/mol:	492.146741
ΔH_f, kcal/mol:	-94.09
Dipole, Da:	7.24
IP(EA), eV:	-8.81(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-ethoxycarbonyl-4-methyl-5-phenylthiophen-2-yl)amino]-2-oxoethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC3=C(C=C2)OCCO3)C)C(=O)COC(=O)C4=CC5=C(N=C4)N(N=C5C)C

DOS

IR

Vibrations