Geometry & MOs

Info

ID:	242925
PubChem CID:	99214333
Reduced:	NO2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	426.161329
ΔH_f, kcal/mol:	-145.78
Dipole, Da:	8.7
IP(EA), eV:	-8.9(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N[C@H](CC(=O)NCC1(CCOCC1)C2=CC=C(C=C2)OC)C3=CC=CC=C3

DOS

IR

Vibrations