Geometry & MOs

Info

ID:	304923
PubChem CID:	124766317
Reduced:	SN5C20H25 (1)
Stoich.:	AB5C20D25 (1)
Weight, g/mol:	392.140593
ΔH_f, kcal/mol:	114.57
Dipole, Da:	7.76
IP(EA), eV:	-8.92(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)[C@H](C2=CC=CS2)C3=NN=NN3CCC4=CC=CC=C4

DOS

IR

Vibrations