Geometry & MOs

Info

ID:	358657
PubChem CID:	127296439
Reduced:	NSO2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	297.085721
ΔH_f, kcal/mol:	-64.26
Dipole, Da:	4.94
IP(EA), eV:	-8.53(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-oxo-1,4-thiazinan-4-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC(=C2)C(=O)N3CCS(=O)CC3

DOS

IR

Vibrations