Geometry & MOs

Info

ID:	71505
PubChem CID:	48414972
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	343.135448
ΔH_f, kcal/mol:	-15.22
Dipole, Da:	1.93
IP(EA), eV:	-9.09(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-but-3-ynylpiperazine-1-carbonyl)-2-methyl-4H-1,4-benzothiazin-3-one

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2

DOS

IR

Vibrations