Geometry & MOs

Info

ID:	60305
PubChem CID:	26683770
Reduced:	NSO4H17C21 (1)
Stoich.:	ABC4D17E21 (1)
Weight, g/mol:	379.087829
ΔH_f, kcal/mol:	-99.96
Dipole, Da:	4.55
IP(EA), eV:	-8.72(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-methoxynaphthalen-2-yl) (2R)-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=CC4=C(C=CC(=C4)OC)C=C3

DOS

IR

Vibrations