Geometry & MOs

Info

ID:	352732
PubChem CID:	127283821
Reduced:	SO2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	324.114378
ΔH_f, kcal/mol:	-28.53
Dipole, Da:	5.34
IP(EA), eV:	-8.55(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1-oxo-1,4-thiazinan-4-yl)acetamide

Drug info:

PubChemData

Smile

CC(C1=NC(=O)C2=CC=CC=C2N1)N3CCS(=O)CC3

DOS

IR

Vibrations