Geometry & MOs

Info

ID:	444758
PubChem CID:	135263473
Reduced:	BrNO3H14C15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	283.087829
ΔH_f, kcal/mol:	-79.58
Dipole, Da:	5.18
IP(EA), eV:	-9.07(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylphenyl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)OCC2=CC=CC=C2NC(=O)O

DOS

IR

Vibrations