Geometry & MOs

Info

ID:	26481
PubChem CID:	650025
Reduced:	ClOSN2H11C12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	383.130363
ΔH_f, kcal/mol:	1.14
Dipole, Da:	2.18
IP(EA), eV:	-8.99(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N(C)C1=NC(=CS1)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations