Geometry & MOs

Info

ID:	244532
PubChem CID:	99361287
Reduced:	ClSN3O5C19H30 (1)
Stoich.:	ABC3D5E19F30 (1)
Weight, g/mol:	407.187878
ΔH_f, kcal/mol:	-222.07
Dipole, Da:	7.06
IP(EA), eV:	-8.75(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[2-(dimethylamino)ethyl-[(2R)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl]amino]acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CN(CCN(C)C)C(=O)CN(C1=CC(=CC=C1)Cl)S(=O)(=O)C

DOS

IR

Vibrations