Geometry & MOs

Info

ID:	218469
PubChem CID:	85089497
Reduced:	S2O8C21H26 (1)
Stoich.:	A2B8C21D26 (1)
Weight, g/mol:	470.241687
ΔH_f, kcal/mol:	-332.49
Dipole, Da:	3.43
IP(EA), eV:	-8.75(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(1,3-dioxo-7,8-dihydrobenzo[f]isoindol-2-yl)-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C2=C1OC(C(C2SCCO)O)C3=CC(=C(C=C3)O)O)O)O)SCCO

DOS

IR

Vibrations