Geometry & MOs

Info

ID:

219861

PubChem CID:

85164975

Reduced:

S2F3O10C25H27 (1)

Stoich.:

A2B3C10D25E27 (1)

Weight, g/mol:

608.274718

ΔHf, kcal/mol:

-526.94

Dipole, Da:

7.21

IP(EA), eV:

 -8.84(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2,5-dihydropyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)SC2=CC=CC=C2)OS(=O)(=O)C(F)(F)F)OCC3=CC=C(C=C3)OC)OC(=O)C

DOS

IR

Vibrations