Geometry & MOs

Info

ID:	383429
PubChem CID:	134975150
Reduced:	N2O4S4C21H28 (1)
Stoich.:	A2B4C4D21E28 (1)
Weight, g/mol:	562.377058
ΔH_f, kcal/mol:	-113.9
Dipole, Da:	9.28
IP(EA), eV:	-9.18(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (4S)-2-[1-[(1R)-1-phenylethyl]piperidin-2-yl]-4-[(2R)-1-[(1S)-1-phenylethyl]piperidin-2-yl]pentanedioate

Drug info:

PubChemData

Smile

CCOC(=S)SC(CCC1=NC(=CC=C1)CCC(OC(=O)C)SC(=S)OCC)CC#N

DOS

IR

Vibrations