Geometry & MOs

Info

ID:	156677
PubChem CID:	56371660
Reduced:	OSN2F3C17H17 (1)
Stoich.:	ABC2D3E17F17 (1)
Weight, g/mol:	402.124943
ΔH_f, kcal/mol:	-154.84
Dipole, Da:	4.43
IP(EA), eV:	-9.05(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(2,2,4-trioxo-1H-2lambda6,3-benzothiazin-3-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)NCCCSC2=CC=C(C=C2)F)C(F)F

DOS

IR

Vibrations