Geometry & MOs

Info

ID:	361763
PubChem CID:	127304610
Reduced:	SN3O3C16H21 (1)
Stoich.:	AB3C3D16E21 (1)
Weight, g/mol:	346.1021
ΔH_f, kcal/mol:	-87.25
Dipole, Da:	2.46
IP(EA), eV:	-9.1(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclobutyl-[4-(1,1-dioxo-1,4-thiazepane-4-carbonyl)-1,3-thiazolidin-3-yl]methanone

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2N1CC(=O)N3CCCS(=O)(=O)CC3

DOS

IR

Vibrations