Geometry & MOs

Info

ID:	62203
PubChem CID:	26718127
Reduced:	SN2O4H22C23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	445.091869
ΔH_f, kcal/mol:	-96.45
Dipole, Da:	1.73
IP(EA), eV:	-8.7(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)OC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations