Geometry & MOs

Info

ID:	67550
PubChem CID:	46506692
Reduced:	ClSN2O3H21C24 (1)
Stoich.:	ABC2D3E21F24 (1)
Weight, g/mol:	432.150764
ΔH_f, kcal/mol:	-61.07
Dipole, Da:	4.36
IP(EA), eV:	-8.84(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations