Geometry & MOs

Info

ID:	132895
PubChem CID:	51441524
Reduced:	FOCl2N2H11C15 (1)
Stoich.:	ABC2D2E11F15 (1)
Weight, g/mol:	381.099457
ΔH_f, kcal/mol:	-47.57
Dipole, Da:	2.79
IP(EA), eV:	-9.16(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] (2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CN2C3=C(C=C(C=C3)F)[C@H](C2=O)N)Cl)Cl

DOS

IR

Vibrations