Geometry & MOs

Info

ID:	144021
PubChem CID:	53301609
Reduced:	SN3O5C28H39 (1)
Stoich.:	AB3C5D28E39 (1)
Weight, g/mol:	488.336256
ΔH_f, kcal/mol:	-190.98
Dipole, Da:	6.95
IP(EA), eV:	-9.09(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyclohexylethyl)-4-[4-[(2R)-1-(cyclohexylmethyl)-5,6-dioxopiperazin-2-yl]butyl]piperazine-2,3-dione

Drug info:

PubChemData

Smile

CCCCC[C@@H](C)N1C[C@H](OC2=C(S1(=O)=O)C=CC(=C2)N3CCC[C@H]3C(=O)N)COCC4=CC=CC=C4

DOS

IR

Vibrations