Geometry & MOs

Info

ID:	81319
PubChem CID:	49854597
Reduced:	SO5N6H24C26 (1)
Stoich.:	AB5C6D24E26 (1)
Weight, g/mol:	569.325357
ΔH_f, kcal/mol:	-68.73
Dipole, Da:	8.8
IP(EA), eV:	-8.91(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-7-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-3-yl]methyl decanoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)N4CCN(CC4)C(=O)C5=NC=CN=C5

DOS

IR

Vibrations