Geometry & MOs

Info

ID:	352461
PubChem CID:	127283549
Reduced:	SN2O4C14H16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	272.119464
ΔH_f, kcal/mol:	-117.54
Dipole, Da:	4.4
IP(EA), eV:	-8.64(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]azepan-2-one

Drug info:

PubChemData

Smile

C1CS(=O)CCN1C(=O)CN2C(=O)COC3=CC=CC=C32

DOS

IR

Vibrations