Geometry & MOs

Info

ID:	59859
PubChem CID:	24900394
Reduced:	NO4C37H67 (1)
Stoich.:	AB4C37D67 (1)
Weight, g/mol:	477.208613
ΔH_f, kcal/mol:	-253.05
Dipole, Da:	4.23
IP(EA), eV:	-9.13(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-7-[(1R)-1-hydroxy-2-[2-[3-[(3-phenylpropylamino)methyl]phenyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OCC(CNC(=O)CCCCCCC/C=C/C/C=C/C/C=C/CC)O

DOS

IR

Vibrations