Geometry & MOs

Info

ID:

427417

PubChem CID:

135158724

Reduced:

ClF3O3N4C24H26 (1)

Stoich.:

AB3C3D4E24F26 (1)

Weight, g/mol:

426.173836

ΔHf, kcal/mol:

-227.58

Dipole, Da:

9.89

IP(EA), eV:

 -9.77(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[(3S)-3,5-dimethylpiperazin-1-yl]-2-(1-methyl-6,7-dihydrophosphinino[2,3-b]pyrrol-5-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC(=C1)C2=NC(=O)N=C(N2)C3=C(C=CC(=C3)CNC([C@H](C(F)(F)F)OC)O)Cl

DOS

IR

Vibrations