Geometry & MOs

Info

ID:	67540
PubChem CID:	46506676
Reduced:	SN2O5H22C25 (1)
Stoich.:	AB2C5D22E25 (1)
Weight, g/mol:	468.091056
ΔH_f, kcal/mol:	-126.12
Dipole, Da:	4.88
IP(EA), eV:	-9.11(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[(3-chloro-4-methoxyanilino)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)C(=O)OC)/S2(=O)=O

DOS

IR

Vibrations