Geometry & MOs

Info

ID:	156695
PubChem CID:	56371764
Reduced:	FO4N5H20C21 (1)
Stoich.:	AB4C5D20E21 (1)
Weight, g/mol:	414.099791
ΔH_f, kcal/mol:	-97.0
Dipole, Da:	7.18
IP(EA), eV:	-9.0(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)COC(=O)C3=CN4C=NN=C4C=C3)F

DOS

IR

Vibrations