Geometry & MOs

Info

ID:

124896

PubChem CID:

50901731

Reduced:

N3O10C41H51 (1)

Stoich.:

A3B10C41D51 (1)

Weight, g/mol:

799.36801

ΔHf, kcal/mol:

-393.36

Dipole, Da:

4.14

IP(EA), eV:

 -8.62(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CCCC[C@@H](C(=O)OCC1=CC=C(C=C1)OC)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C[C@@H](CO)NC(=O)OCC=C

DOS

IR

Vibrations