Geometry & MOs

Info

ID:	230011
PubChem CID:	87569870
Reduced:	S2O5C18H26 (1)
Stoich.:	A2B5C18D26 (1)
Weight, g/mol:	568.292867
ΔH_f, kcal/mol:	-213.19
Dipole, Da:	3.83
IP(EA), eV:	-8.35(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2,4-dimethyl-N-[3-[4-[3-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)OCCC1(SCCCS1)CCC2=CC(=C(C(=C2)OC)O)OC

DOS

IR

Vibrations