Geometry & MOs

Info

ID:	356656
PubChem CID:	127292075
Reduced:	SO2N3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	375.198048
ΔH_f, kcal/mol:	-91.53
Dipole, Da:	3.95
IP(EA), eV:	-8.32(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-oxobutanamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(C)CNC(=O)CCC(=O)N2CCSC3=CC=CC=C32

DOS

IR

Vibrations