Geometry & MOs

Info

ID:	67542
PubChem CID:	46506679
Reduced:	SF2N2O3H18C23 (1)
Stoich.:	AB2C2D3E18F23 (1)
Weight, g/mol:	448.145678
ΔH_f, kcal/mol:	-133.22
Dipole, Da:	3.71
IP(EA), eV:	-8.91(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[[(2-methoxyphenyl)methylamino]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)F)F)/S2(=O)=O

DOS

IR

Vibrations