Geometry & MOs

Info

ID:

423800

PubChem CID:

135120252

Reduced:

SN5O8C35H49 (1)

Stoich.:

AB5C8D35E49 (1)

Weight, g/mol:

702.374098

ΔHf, kcal/mol:

-335.59

Dipole, Da:

6.0

IP(EA), eV:

 -8.99(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3R,6S,9S,12S,19S)-3-benzyl-9-ethyl-6-[(1R)-1-hydroxyethyl]-2,5,8,11,18-pentaoxo-1,4,7,10,17-pentazabicyclo[17.3.0]docosan-12-yl]-2,3-dihydro-1H-indene-2-carboxamide

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)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)CC3=CC=C(C=C3)S(=O)(=O)C)C(C)C

DOS

IR

Vibrations