Geometry & MOs

Info

ID:	297495
PubChem CID:	117618987
Reduced:	N2O2F3C17H17 (1)
Stoich.:	A2B2C3D17E17 (1)
Weight, g/mol:	599.294176
ΔH_f, kcal/mol:	-183.21
Dipole, Da:	4.25
IP(EA), eV:	-9.92(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[2-(2-acetyl-9-hydroxy-5-oxononanoyl)oxyethoxy]-2-methyl-1-oxobutan-2-yl]-3-[1-(2-oxopyrrolidin-1-yl)propyl]butanedioic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1F)[C@@]2(CC[C@H](C2)C3=CN(N=C3)C(F)F)C(=O)O

DOS

IR

Vibrations