Geometry & MOs

Info

ID:

189524

PubChem CID:

77868039

Reduced:

O2N3C26H31 (1)

Stoich.:

A2B3C26D31 (1)

Weight, g/mol:

456.166979

ΔHf, kcal/mol:

-46.73

Dipole, Da:

3.03

IP(EA), eV:

 -8.16(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyrimidin-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,5]triazepine-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=C2C3=C(C=CC(=C3)C(=O)C)NC2=O)NC4CCC(CC4)N(C)C

DOS

IR

Vibrations