Geometry & MOs

Info

ID:	282255
PubChem CID:	103920135
Reduced:	ClN2O2C11H15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	280.088164
ΔH_f, kcal/mol:	-87.76
Dipole, Da:	4.05
IP(EA), eV:	-9.9(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](CO)NC(=O)C1=C(C=C(N=C1)C)Cl

DOS

IR

Vibrations