Geometry & MOs

Info

ID:

180881

PubChem CID:

76699135

Reduced:

FO5N7C23H24 (1)

Stoich.:

AB5C7D23E24 (1)

Weight, g/mol:

405.181232

ΔHf, kcal/mol:

-160.31

Dipole, Da:

5.15

IP(EA), eV:

 -9.24(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[3-[3-fluoro-4-(8-oxo-1,2,4,5,7,9-hexahydropyrazolo[1,2-a][1,2,5]triazepin-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN4C(=O)N(C(=O)N4CC3)C5=CC=CC=N5)F

DOS

IR

Vibrations