Geometry & MOs

Info

ID:	122630
PubChem CID:	50815438
Reduced:	SO3N4C25H26 (1)
Stoich.:	AB3C4D25E26 (1)
Weight, g/mol:	414.08497
ΔH_f, kcal/mol:	-8.08
Dipole, Da:	8.3
IP(EA), eV:	-8.24(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-difluorophenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide

Drug info:

PubChemData

Smile

CCCCOC1=CC=CC=C1C2CC(=O)N=C3C2=C(NN3C4=NC5=C(S4)C=C(C=C5)OC)C

DOS

IR

Vibrations