Geometry & MOs

Info

ID:	67474
PubChem CID:	46506538
Reduced:	SCl2N3O3C19H21 (1)
Stoich.:	AB2C3D3E19F21 (1)
Weight, g/mol:	424.091535
ΔH_f, kcal/mol:	-97.73
Dipole, Da:	2.6
IP(EA), eV:	-9.16(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-1-[(4-methylphenyl)methyl]-2,2-dioxo-3-[(thiophen-2-ylmethylamino)methylidene]-2lambda6,1-benzothiazin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CN2CCCN(S2(=O)=O)CC3=CC=C(C=C3)Cl)Cl

DOS

IR

Vibrations