Geometry & MOs

Info

ID:	156386
PubChem CID:	56370384
Reduced:	N2S2F3O3H13C19 (1)
Stoich.:	A2B2C3D3E13F19 (1)
Weight, g/mol:	498.091929
ΔH_f, kcal/mol:	-195.53
Dipole, Da:	2.0
IP(EA), eV:	-9.65(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(4-methylphenyl)-2-[[2-(2,2,4-trioxo-1H-2lambda6,3-benzothiazin-3-yl)acetyl]amino]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C(=O)N(S1(=O)=O)CC3=CSC(=N3)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations