Geometry & MOs

Info

ID:	244272
PubChem CID:	99319637
Reduced:	SN3O5C25H33 (1)
Stoich.:	AB3C5D25E33 (1)
Weight, g/mol:	383.130363
ΔH_f, kcal/mol:	-188.59
Dipole, Da:	7.49
IP(EA), eV:	-9.61(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-methyl-3-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-4H-1,4-benzothiazine-6-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@@H]1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCNC(=O)CC3=CC=CC=C3)OC

DOS

IR

Vibrations