Geometry & MOs

Info

ID:

329213

PubChem CID:

126732103

Reduced:

F3O4N6C26H27 (1)

Stoich.:

A3B4C6D26E27 (1)

Weight, g/mol:

740.447263

ΔHf, kcal/mol:

-217.11

Dipole, Da:

9.44

IP(EA), eV:

 -8.67(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[[(2S)-6-amino-1-[[(1S)-1-[4-hydroxy-3-(2-hydroxy-5-methylphenyl)phenyl]-2-[[(2S)-1-[[(2S)-1-hydroxypropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylamino]-1-oxohexan-2-yl]amino]-3-oxopropyl]octanamide

Drug info:

PubChemData

Smile

CCOC1=C(C2=C(C=C1)N=C(N2C3CCCCN(C3)C(=O)C=C)NC(=O)C4=CC(=NC=C4)C(F)(F)F)NC=O

DOS

IR

Vibrations