Geometry & MOs

Info

ID:

311150

PubChem CID:

126589633

Reduced:

FN2O4H23C24 (1)

Stoich.:

AB2C4D23E24 (1)

Weight, g/mol:

657.27584

ΔHf, kcal/mol:

-114.83

Dipole, Da:

9.59

IP(EA), eV:

 -8.19(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[[2-[[2-[[1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC[C@]1(C(OCC2=C1C=C3C4=NC5=CC(=C(C6=C5C(=C4CN3C2=O)CCC6)C)F)O)O

DOS

IR

Vibrations