Geometry & MOs

Info

ID:

124906

PubChem CID:

50902367

Reduced:

FN2O4C17H17 (2)

Stoich.:

AB2C4D17E17 (2)

Weight, g/mol:

596.169464

ΔHf, kcal/mol:

-339.8

Dipole, Da:

9.32

IP(EA), eV:

 -9.25(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;3-[[(10S,15R)-6-[(2,4-difluorophenyl)methylcarbamoyl]-2,5-dioxo-1,8,11-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-3,6-dien-4-yl]oxymethoxy]-2,2-dimethyl-3-oxopropanoate

Drug info:

PubChemData

Smile

CC(C)(C(=O)OCC1=CC=CC=C1)C(=O)OCOC2=C3C(=O)N4C[C@H]5CCCN5[C@@H]4CN3C=C(C2=O)C(=O)NCC6=C(C=C(C=C6)F)F

DOS

IR

Vibrations