Geometry & MOs

Info

ID:	60315
PubChem CID:	26683791
Reduced:	SN2O4H18C23 (1)
Stoich.:	AB2C4D18E23 (1)
Weight, g/mol:	415.072573
ΔH_f, kcal/mol:	-88.86
Dipole, Da:	3.96
IP(EA), eV:	-8.82(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-[(2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl]oxybenzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations