Geometry & MOs

Info

ID:	136265
PubChem CID:	52009257
Reduced:	SN2O2C19H20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	383.141596
ΔH_f, kcal/mol:	-45.92
Dipole, Da:	4.94
IP(EA), eV:	-8.78(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2,4-dimethyl-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,4-benzothiazin-3-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CNC(=O)[C@@]2(C(=O)N(C3=CC=CC=C3S2)C)C

DOS

IR

Vibrations