Geometry & MOs

Info

ID:	136258
PubChem CID:	52008920
Reduced:	NOSC8H8 (2)
Stoich.:	ABCD8E8 (2)
Weight, g/mol:	395.166748
ΔH_f, kcal/mol:	-42.3
Dipole, Da:	4.13
IP(EA), eV:	-8.89(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-methyl-2-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one

Drug info:

PubChemData

Smile

C[C@@]1(C(=O)NC2=CC=CC=C2S1)C(=O)NCCC3=CC=CS3

DOS

IR

Vibrations