Geometry & MOs

Info

ID:	342292
PubChem CID:	127265069
Reduced:	NO2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	307.124215
ΔH_f, kcal/mol:	-91.49
Dipole, Da:	6.07
IP(EA), eV:	-9.6(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-4-(4-methylphenyl)but-3-en-1-one

Drug info:

PubChemData

Smile

C1CCC(=O)C(C1)C2CCCN2C(=O)CC3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations