Geometry & MOs

Info

ID:	62206
PubChem CID:	26718155
Reduced:	SN2O4H18C23 (1)
Stoich.:	AB2C4D18E23 (1)
Weight, g/mol:	418.098728
ΔH_f, kcal/mol:	-89.15
Dipole, Da:	1.62
IP(EA), eV:	-8.75(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzamidophenyl) 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)OC(=O)C[C@H]3C(=O)NC4=CC=CC=C4S3

DOS

IR

Vibrations