Geometry & MOs

Info

ID:	345795
PubChem CID:	127270095
Reduced:	O2N5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	370.146347
ΔH_f, kcal/mol:	24.5
Dipole, Da:	4.97
IP(EA), eV:	-9.54(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-imidazol-1-ylpiperidin-1-yl)-3-oxopropyl]-1,4-benzothiazin-3-one

Drug info:

PubChemData

Smile

CC(C)C1=NOC2=C1C=C(C=N2)C(=O)N3CCC(CC3)N4C=CN=C4

DOS

IR

Vibrations