Geometry & MOs

Info

ID:	133310
PubChem CID:	51507099
Reduced:	OS2N3H19C22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	448.99326
ΔH_f, kcal/mol:	60.47
Dipole, Da:	2.98
IP(EA), eV:	-8.75(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)[C@H](C)SC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

DOS

IR

Vibrations