Geometry & MOs

Info

ID:	132952
PubChem CID:	51452068
Reduced:	ClFOSN4C21H22 (1)
Stoich.:	ABCDE4F21G22 (1)
Weight, g/mol:	398.130028
ΔH_f, kcal/mol:	-24.96
Dipole, Da:	4.83
IP(EA), eV:	-9.14(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate

Drug info:

PubChemData

Smile

CCN1C(=NN=C1S[C@@H](C)C(=O)N[C@@H](C)C2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations