Geometry & MOs

Info

ID:

383010

PubChem CID:

134974496

Reduced:

OSCl2H10C13 (1)

Stoich.:

ABC2D10E13 (1)

Weight, g/mol:

808.444303

ΔHf, kcal/mol:

0.93

Dipole, Da:

1.33

IP(EA), eV:

 -9.1(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2R,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]-methylamino]-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)-3-methoxypropanoyl]-methylamino]propanoic acid

Drug info:

PubChemData

Smile

CC\1=C(C2=CC=CC=C2/C1=C(/C(=O)SC)\Cl)Cl

DOS

IR

Vibrations