Geometry & MOs

Info

ID:	360956
PubChem CID:	127301787
Reduced:	NSO3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	356.140593
ΔH_f, kcal/mol:	-122.39
Dipole, Da:	6.47
IP(EA), eV:	-9.6(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1,1-dioxo-1,4-thiazepan-4-yl)-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCCS(=O)(=O)CC2)C

DOS

IR

Vibrations