Geometry & MOs

Info

ID:	34361
PubChem CID:	7890923
Reduced:	NSO6H17C19 (1)
Stoich.:	ABC6D17E19 (1)
Weight, g/mol:	392.083078
ΔH_f, kcal/mol:	-198.58
Dipole, Da:	5.77
IP(EA), eV:	-9.22(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CC3=CC=CS3

DOS

IR

Vibrations