Geometry & MOs

Info

ID:

124895

PubChem CID:

50901730

Reduced:

N3O10C44H55 (1)

Stoich.:

A3B10C44D55 (1)

Weight, g/mol:

745.357445

ΔHf, kcal/mol:

-396.19

Dipole, Da:

1.29

IP(EA), eV:

 -8.88(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-methoxyphenyl)methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[(2S)-3-hydroxy-2-(prop-2-enoxycarbonylamino)propyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate

Drug info:

PubChemData

Smile

CC1(N([C@H](CO1)CN(CCCC[C@@H](C(=O)OCC2=CC=C(C=C2)OC)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)OC(C)(C)C)C(=O)OCC=C)C

DOS

IR

Vibrations