Geometry & MOs

Info

ID:

311148

PubChem CID:

126589631

Reduced:

FN2O4C25H27 (1)

Stoich.:

AB2C4D25E27 (1)

Weight, g/mol:

525.18194

ΔHf, kcal/mol:

-168.46

Dipole, Da:

7.41

IP(EA), eV:

 -9.12(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-4-[[2-[[2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC[C@@]1(C(=C(COC1=O)CO)/C=C\2/C3=NC4=CC(=C(C5=C4C(=C3CN2C)CCC5)C)F)O

DOS

IR

Vibrations