Geometry & MOs

Info

ID:

224793

PubChem CID:

85355308

Reduced:

NO3F7H18C20 (1)

Stoich.:

AB3C7D18E20 (1)

Weight, g/mol:

455.237998

ΔHf, kcal/mol:

-451.75

Dipole, Da:

3.43

IP(EA), eV:

 -9.85(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-acetamido-5-[[3-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-3-oxoprop-1-en-2-yl]-methylamino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1COC(C(N1)C2=CC=C(C=C2)F)(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)OCCO

DOS

IR

Vibrations