Geometry & MOs

Info

ID:

224135

PubChem CID:

85338586

Reduced:

FSN3O10C32H52 (1)

Stoich.:

ABC3D10E32F52 (1)

Weight, g/mol:

699.12621

ΔHf, kcal/mol:

-518.55

Dipole, Da:

5.21

IP(EA), eV:

 -8.88(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-[1-(4-azido-2-hydroxy-5-iodobenzoyl)pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1C(C(CN(CCCCC(CC(C(C(=O)O1)C)O)OC2CC(CC(O2)C)N(C)C)C(=O)NS(=O)(=O)C3=CC=C(C=C3)F)O)(C)O

DOS

IR

Vibrations