Geometry & MOs

Info

ID:

59568

PubChem CID:

24875314

Reduced:

ON2C7H16 (1)

Stoich.:

AB2C7D16 (1)

Weight, g/mol:

800.511988

ΔHf, kcal/mol:

-44.41

Dipole, Da:

1.84

IP(EA), eV:

-9.05(0.3)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2S)-2-[[(2R,5S)-5-[[(2S,3S)-2-[[(2S,3R)-2-acetamido-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-2-butyl-4,4-dihydroxynonanoyl]amino]-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanediamide

Drug info:

PubChemData

Smile

CNCCCC[C@@H](C=O)N

DOS

IR

Vibrations