Geometry & MOs

Info

ID:

180880

PubChem CID:

76698963

Reduced:

FN5O8H24C25 (1)

Stoich.:

AB5C8D24E25 (1)

Weight, g/mol:

497.182295

ΔHf, kcal/mol:

-298.58

Dipole, Da:

5.62

IP(EA), eV:

 -8.74(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[3-[4-(1,3-dioxo-2-pyridin-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,5]triazepin-7-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN4C5=C(C=C(C=C5C(=O)O)C(=O)O)C(=O)N4CC3)F

DOS

IR

Vibrations