Geometry & MOs

Info

ID:	361751
PubChem CID:	127304567
Reduced:	NSO3C19H27 (1)
Stoich.:	ABC3D19E27 (1)
Weight, g/mol:	289.134779
ΔH_f, kcal/mol:	-131.3
Dipole, Da:	5.82
IP(EA), eV:	-9.1(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxo-1,4-thiazepan-4-yl)-3-(oxan-2-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)CC2CCC(CC2)C3=CC=CC=C3

DOS

IR

Vibrations