Geometry & MOs

Info

ID:	165359
PubChem CID:	74537338
Reduced:	SCl2O2N4H16C20 (1)
Stoich.:	AB2C2D4E16F20 (1)
Weight, g/mol:	431.140259
ΔH_f, kcal/mol:	-21.21
Dipole, Da:	3.24
IP(EA), eV:	-8.83(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3C=NC4=C(C3=O)C=C(C=C4Cl)Cl

DOS

IR

Vibrations