Geometry & MOs

Info

ID:	303775
PubChem CID:	124490160
Reduced:	NPO4C11H18 (1)
Stoich.:	ABC4D11E18 (1)
Weight, g/mol:	271.0667
ΔH_f, kcal/mol:	-222.23
Dipole, Da:	4.23
IP(EA), eV:	-8.48(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-hydroxy-2-phenyl-3H-1,4-benzothiazine-4-carbaldehyde

Drug info:

PubChemData

Smile

CCOP(=O)([C@@H](C1=CC=C(C=C1)N)O)OCC

DOS

IR

Vibrations