Geometry & MOs

Info

ID:

402561

PubChem CID:

135056394

Reduced:

ClNO2C8H12 (1)

Stoich.:

ABC2D8E12 (1)

Weight, g/mol:

934.432401

ΔHf, kcal/mol:

-111.4

Dipole, Da:

3.57

IP(EA), eV:

 -9.86(0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl (2S)-2-[[(4R)-4-[[(2S)-2-[[(2R)-2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate

Drug info:

PubChemData

Smile

C1CC2CC([NH+]=C2C1)C(=O)O.[Cl-]

DOS

IR

Vibrations