Geometry & MOs

Info

ID:

308442

PubChem CID:

125333084

Reduced:

ClFSO2N4H12C17 (1)

Stoich.:

ABCD2E4F12G17 (1)

Weight, g/mol:

442.22162

ΔHf, kcal/mol:

6.31

Dipole, Da:

8.1

IP(EA), eV:

 -9.18(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide

Drug info:

PubChemData

Smile

C1C(=O)N=C2C(=CNN2C3=C(C=C(C=C3)Cl)F)[C@H](S1)[C@H]4C=CC=NC4=O

DOS

IR

Vibrations