Geometry & MOs

Info

ID:	360938
PubChem CID:	127301769
Reduced:	SO3N4C16H20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	257.108565
ΔH_f, kcal/mol:	-60.01
Dipole, Da:	10.3
IP(EA), eV:	-9.69(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopent-2-en-1-yl-1-(1,1-dioxo-1,4-thiazepan-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)N3CCCS(=O)(=O)CC3)C

DOS

IR

Vibrations