Geometry & MOs

Info

ID:	363668
PubChem CID:	127312374
Reduced:	SN2O2C13H22 (1)
Stoich.:	AB2C2D13E22 (1)
Weight, g/mol:	269.14495
ΔH_f, kcal/mol:	-118.03
Dipole, Da:	3.63
IP(EA), eV:	-8.41(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(thian-4-yl)methanone

Drug info:

PubChemData

Smile

CC(=O)NC1CCCN(C1)C(=O)C2CCSCC2

DOS

IR

Vibrations