Geometry & MOs

Info

ID:

423660

PubChem CID:

135119955

Reduced:

SO4N5C29H45 (1)

Stoich.:

AB4C5D29E45 (1)

Weight, g/mol:

785.411212

ΔHf, kcal/mol:

-187.33

Dipole, Da:

5.68

IP(EA), eV:

 -8.73(0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-N-[(1R,4S,9R,13S,16S,19S,22R)-13-benzyl-16-[(1R)-1-hydroxyethyl]-4-methyl-19-(2-methylpropyl)-3,6,12,15,18,21-hexaoxo-2,5,11,14,17,20-hexazatricyclo[20.3.0.07,11]pentacosan-9-yl]-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCSC)C(C)C)CC=C(C)C)CC2=CC=CC=C2

DOS

IR

Vibrations