Geometry & MOs

Info

ID:

84085

PubChem CID:

49864075

Reduced:

NO3C16H25 (1)

Stoich.:

AB3C16D25 (1)

Weight, g/mol:

792.489796

ΔHf, kcal/mol:

-141.36

Dipole, Da:

1.71

IP(EA), eV:

-8.59(0.06)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2S)-2-acetamido-6-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]-4-methyl-1-oxopentan-2-yl]hexanamide

Drug info:

PubChemData

Smile

CCCCCCNC(=O)CCC1=CC(=C(C=C1)O)OC

DOS

IR

Vibrations