Geometry & MOs

Info

ID:

160810

PubChem CID:

57389849

Reduced:

SCl2N3O4H23C26 (1)

Stoich.:

AB2C3D4E23F26 (1)

Weight, g/mol:

586.255126

ΔHf, kcal/mol:

-40.65

Dipole, Da:

6.28

IP(EA), eV:

 -9.06(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[[2-(dimethylamino)-2-oxoacetyl]amino]-4-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-5,6-dioxo-3,7-diazatricyclo[7.2.2.02,7]tridec-2-en-9-yl]methyl N,N-dimethylcarbamate

Drug info:

PubChemData

Smile

C1CC1C2=C(C(=NO2)C3=C(C=CC=C3Cl)Cl)COC4CCN(CC4)C5=NC6=C(S5)C=C(C=C6)C(=O)O

DOS

IR

Vibrations