Geometry & MOs

Info

ID:	67541
PubChem CID:	46506677
Reduced:	ClSN2O4H21C24 (1)
Stoich.:	ABC2D4E21F24 (1)
Weight, g/mol:	440.10062
ΔH_f, kcal/mol:	-90.82
Dipole, Da:	3.27
IP(EA), eV:	-8.76(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[(3,4-difluoroanilino)methylidene]-1-[(4-methylphenyl)methyl]-2,2-dioxo-2lambda6,1-benzothiazin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)/C(=C\NC4=CC(=C(C=C4)OC)Cl)/S2(=O)=O

DOS

IR

Vibrations