Geometry & MOs

Info

ID:	307708
PubChem CID:	125308337
Reduced:	ClO3N5H18C21 (1)
Stoich.:	AB3C5D18E21 (1)
Weight, g/mol:	500.325023
ΔH_f, kcal/mol:	-25.89
Dipole, Da:	6.8
IP(EA), eV:	-8.47(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-[7-[4-(furan-2-carbonyl)piperazin-1-yl]-7-oxoheptyl]-3-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentan-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC2=C1C=CN2CC3=CC=C(C=C3)Cl)NC(=O)CC[C@@H]4C(=O)NC(=O)N=N4

DOS

IR

Vibrations