Geometry & MOs

Info

ID:	358604
PubChem CID:	127296363
Reduced:	OSN2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	285.17625
ΔH_f, kcal/mol:	-27.38
Dipole, Da:	2.6
IP(EA), eV:	-8.87(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-oxo-1,4-thiazinan-4-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone

Drug info:

PubChemData

Smile

CC1CN(CCS1)C(=O)C2=C(N=CC=C2)C

DOS

IR

Vibrations