Geometry & MOs

Info

ID:	360415
PubChem CID:	127301060
Reduced:	O3N7C18H23 (1)
Stoich.:	A3B7C18D23 (1)
Weight, g/mol:	384.161997
ΔH_f, kcal/mol:	-74.99
Dipole, Da:	7.31
IP(EA), eV:	-9.25(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-oxopropyl]-1,4-benzothiazin-3-one

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)CCC3=NC4=C(N3)C(=O)NC(=O)N4C

DOS

IR

Vibrations