Geometry & MOs

Info

ID:	67470
PubChem CID:	46506534
Reduced:	ClFSN2O3H16C22 (1)
Stoich.:	ABCD2E3F16G22 (1)
Weight, g/mol:	438.080491
ΔH_f, kcal/mol:	-86.46
Dipole, Da:	3.1
IP(EA), eV:	-8.95(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-1-benzyl-3-[[(4-chlorophenyl)methylamino]methylidene]-2,2-dioxo-2lambda6,1-benzothiazin-4-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations