Geometry & MOs

Info

ID:	274663
PubChem CID:	103810929
Reduced:	SN2O3C9H16 (1)
Stoich.:	AB2C3D9E16 (1)
Weight, g/mol:	246.103814
ΔH_f, kcal/mol:	-113.31
Dipole, Da:	5.49
IP(EA), eV:	-9.47(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azetidin-3-yl)-1-(1,1-dioxo-1,4-thiazepan-4-yl)ethanone

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)C2(CC2)N

DOS

IR

Vibrations