Geometry & MOs

Info

ID:	196567
PubChem CID:	78848852
Reduced:	SO2N6C19H26 (1)
Stoich.:	AB2C6D19E26 (1)
Weight, g/mol:	425.134403
ΔH_f, kcal/mol:	-29.0
Dipole, Da:	4.49
IP(EA), eV:	-8.73(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C(=O)C)N2CCN(CC2)C3=C4C=CSC4=NC=N3

DOS

IR

Vibrations