Geometry & MOs

Info

ID:	60296
PubChem CID:	26683761
Reduced:	SN3O4H13C18 (1)
Stoich.:	AB3C4D13E18 (1)
Weight, g/mol:	356.083078
ΔH_f, kcal/mol:	-58.77
Dipole, Da:	6.59
IP(EA), eV:	-9.18(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-acetamidophenyl) (2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OC3=CC=C(C=C3)C4=NN=CO4

DOS

IR

Vibrations