Geometry & MOs

Info

ID:	383582
PubChem CID:	134975376
Reduced:	O7C31H38 (1)
Stoich.:	A7B31C38 (1)
Weight, g/mol:	359.119129
ΔH_f, kcal/mol:	-243.76
Dipole, Da:	3.38
IP(EA), eV:	-8.72(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-7-(4-methylpent-3-enyl)-1,1-dioxo-2,3-dihydrobenzo[g][1,4]benzothiazine-5,10-dione

Drug info:

PubChemData

Smile

CC(=C)C[C@@H](/C=C/C(C[C@@H]1[C@@H](C[C@@H]1OC(=O)C2=CC=CC=C2)CO)OC(=O)C)OCC3=CC=C(C=C3)OC

DOS

IR

Vibrations