Geometry & MOs

Info

ID:	71501
PubChem CID:	48414966
Reduced:	N2O3H24C25 (1)
Stoich.:	A2B3C24D25 (1)
Weight, g/mol:	329.119798
ΔH_f, kcal/mol:	-1.2
Dipole, Da:	3.77
IP(EA), eV:	-8.93(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)N3CCN(CC3)CCC#C)C4=CC=CC=C4

DOS

IR

Vibrations