Geometry & MOs

Info

ID:

375685

PubChem CID:

134220790

Reduced:

O2N3C13H14 (2)

Stoich.:

A2B3C13D14 (2)

Weight, g/mol:

1455.693535

ΔHf, kcal/mol:

-62.53

Dipole, Da:

5.41

IP(EA), eV:

 -9.15(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(7S,22S,25R)-34-benzyl-19-butyl-7-carbamoyl-28-[(1S)-1-hydroxyethyl]-10-(1H-imidazol-4-ylmethyl)-31-(1H-indol-3-ylmethyl)-13,37-dimethyl-16-(2-methylpropyl)-4,9,12,15,18,21,24,27,30,33,36,39,42-tridecaoxo-5,8,11,14,17,20,23,26,29,32,35,38,43-tridecazatricyclo[20.19.6.13,40]octatetraconta-1,3(48),40-trien-25-yl]propanoic acid

Drug info:

PubChemData

Smile

CC/C=C(\C=C/C(=C)CN1C(=NC2=C1C(=O)NC(=O)N2CC)CC3=CN4C=CC=CC4=N3)/C(=O)OC

DOS

IR

Vibrations