Geometry & MOs

Info

ID:	434506
PubChem CID:	135175090
Reduced:	N3O10C26H39 (1)
Stoich.:	A3B10C26D39 (1)
Weight, g/mol:	515.310769
ΔH_f, kcal/mol:	-393.95
Dipole, Da:	6.2
IP(EA), eV:	-8.92(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2S)-3,3-dimethyl-2-[[2-[3-(4-piperazin-1-ylphenoxy)cyclobutyl]oxyacetyl]amino]butanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C1CCC(=O)NC1=O)C(=O)C2=C(C(=CC=C2)NCCOCCOCCOCCOCCOCCO)C=O

DOS

IR

Vibrations