Geometry & MOs

Info

ID:	371537
PubChem CID:	127346875
Reduced:	NSO2C12H21 (1)
Stoich.:	ABC2D12E21 (1)
Weight, g/mol:	297.085721
ΔH_f, kcal/mol:	-98.49
Dipole, Da:	4.27
IP(EA), eV:	-8.49(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-1-oxo-1,4-thiazinan-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CCS1=O)C(=O)C2(CCCC2)C

DOS

IR

Vibrations