Geometry & MOs

Info

ID:	434698
PubChem CID:	135175502
Reduced:	N2O2C23H46 (1)
Stoich.:	A2B2C23D46 (1)
Weight, g/mol:	319.070071
ΔH_f, kcal/mol:	-143.0
Dipole, Da:	1.39
IP(EA), eV:	-8.29(2.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[4-[(1R)-1-(disulfanylamino)ethyl]phenyl]penta-2,4-diynoxy]propan-2-one

Drug info:

PubChemData

Smile

C[C@H]1CCN(C(C1)C2C[C@@H](CCN2CCCCOC)C)CCCCCOC

DOS

IR

Vibrations