Geometry & MOs

Info

ID:	361757
PubChem CID:	127304573
Reduced:	NSO3C12H21 (1)
Stoich.:	ABC3D12E21 (1)
Weight, g/mol:	350.075885
ΔH_f, kcal/mol:	-151.65
Dipole, Da:	3.85
IP(EA), eV:	-9.72(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCCC1)C(=O)N2CCCS(=O)(=O)CC2

DOS

IR

Vibrations