Geometry & MOs

Info

ID:	11069
PubChem CID:	110723
Reduced:	OSCl2N3C23H31 (1)
Stoich.:	ABC2D3E23F31 (1)
Weight, g/mol:	467.156489
ΔH_f, kcal/mol:	-76.66
Dipole, Da:	7.87
IP(EA), eV:	-8.99(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(4-methylpiperazin-1-yl)propyl]-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-one;dihydrochloride

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCCN2C(=O)CC(SC3=CC=CC=C32)C4=CC=CC=C4.Cl.Cl

DOS

IR

Vibrations