Geometry & MOs

Info

ID:	156648
PubChem CID:	56371530
Reduced:	O2N5C26H33 (1)
Stoich.:	A2B5C26D33 (1)
Weight, g/mol:	424.99326
ΔH_f, kcal/mol:	-36.01
Dipole, Da:	2.38
IP(EA), eV:	-8.71(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-bromo-3,4-dimethoxyphenyl)methyl]-2,2-dioxo-1H-2lambda6,3-benzothiazin-4-one

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1C3CCCN3C(=O)NC4=CC=CC=C4N5CC(OC(C5)C)C

DOS

IR

Vibrations