Geometry & MOs

Info

ID:

311118

PubChem CID:

126589462

Reduced:

FN2O4H19C22 (1)

Stoich.:

AB2C4D19E22 (1)

Weight, g/mol:

492.233247

ΔHf, kcal/mol:

-147.82

Dipole, Da:

7.18

IP(EA), eV:

 -8.43(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-amino-4-[[2-[[2-[[(1S)-2-[(2-amino-2-oxoethyl)amino]-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC1=C2CCCC3=C2C(C=C1F)NC4=C3CN5C4=CC6=C(C5=O)COC(=O)[C@H]6O

DOS

IR

Vibrations