Geometry & MOs

Info

ID:	361788
PubChem CID:	127304635
Reduced:	N2S2O5C15H22 (1)
Stoich.:	A2B2C5D15E22 (1)
Weight, g/mol:	352.109293
ΔH_f, kcal/mol:	-198.6
Dipole, Da:	8.7
IP(EA), eV:	-9.63(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(1,1-dioxo-1,4-thiazepan-4-yl)-2-oxoethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)N2CCCS(=O)(=O)CC2

DOS

IR

Vibrations