Geometry & MOs

Info

ID:	176488
PubChem CID:	76059152
Reduced:	SN2O4C11H24 (1)
Stoich.:	AB2C4D11E24 (1)
Weight, g/mol:	634.31552
ΔH_f, kcal/mol:	-209.23
Dipole, Da:	3.69
IP(EA), eV:	-9.61(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2,4-bis(phenylmethoxy)phenyl]-5-oxo-5-(4-phenylpiperazin-1-yl)-4-(propanoylamino)pentanamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(C(C(CS(=O)(=O)N)O)O)N

DOS

IR

Vibrations