Geometry & MOs

Info

ID:

161302

PubChem CID:

57391294

Reduced:

FO2N4C23H27 (1)

Stoich.:

AB2C4D23E27 (1)

Weight, g/mol:

634.416631

ΔHf, kcal/mol:

-71.51

Dipole, Da:

6.48

IP(EA), eV:

 -8.82(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-5-[[amino(nitramido)methylidene]amino]-1-[[(3S)-1-(ethylamino)-5-methyl-1,2-dioxohexan-3-yl]amino]-1-oxopentan-2-yl]-10-cyano-2-cyclopentyldecanamide

Drug info:

PubChemData

Smile

CC1=NC2=CN=C(C=C2C(=O)N1C[C@H]3CCCN(C3)C(C)C)OC4=CC=C(C=C4)F

DOS

IR

Vibrations