Geometry & MOs

Info

ID:

388807

PubChem CID:

134990295

Reduced:

Cl2N2O3C12H14 (1)

Stoich.:

A2B2C3D12E14 (1)

Weight, g/mol:

1095.480949

ΔHf, kcal/mol:

-132.09

Dipole, Da:

4.37

IP(EA), eV:

 -8.8(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[(2R)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2R)-2-(3-benzylsulfanylpropanoylamino)-3-(4-ethoxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-phenylmethoxybutanoyl]amino]-4-oxobutanoyl]amino]-3-benzylsulfanylpropanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)N)(C(=O)O)NC(=O)C(Cl)Cl

DOS

IR

Vibrations