Geometry & MOs

Info

ID:

161283

PubChem CID:

57391247

Reduced:

N3O5C22H29 (1)

Stoich.:

A3B5C22D29 (1)

Weight, g/mol:

617.33371

ΔHf, kcal/mol:

-153.54

Dipole, Da:

8.64

IP(EA), eV:

 -8.52(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-2-amino-3-[[(2S)-3-methyl-1-[[(2S)-4-methyl-1-[[2-methyl-1-(4-methylphenyl)propan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-oxopropyl]-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)C1=C(/C(=C/2\C=C(C(=CC2=O)O)C(C)C)/ON1)NC(=O)C3CCCCC3

DOS

IR

Vibrations