Geometry & MOs

Info

ID:	437907
PubChem CID:	135227301
Reduced:	F2N3H8C11 (2)
Stoich.:	A2B3C8D11 (2)
Weight, g/mol:	470.168916
ΔH_f, kcal/mol:	-58.97
Dipole, Da:	5.03
IP(EA), eV:	-9.6(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-[4-(3,6-dioxocyclohexa-1,4-dien-1-yl)-2-hydroxybutanoyl]piperazin-1-yl]-3-hydroxy-4-oxobutyl]cyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

CC(C)C1=NC=CC(=C1)C2=CN3C(=NC(=C3C4=C(C5=C(C=C4)NN=C5)F)C(F)(F)F)C=N2

DOS

IR

Vibrations