Geometry & MOs

Info

ID:	271796
PubChem CID:	103692372
Reduced:	NOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	345.00343
ΔH_f, kcal/mol:	-43.57
Dipole, Da:	3.56
IP(EA), eV:	-9.81(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-methylphenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C(C)OC)C#N

DOS

IR

Vibrations