Geometry & MOs

Info

ID:

179014

PubChem CID:

76420345

Reduced:

ClF3N3O3C37H37 (1)

Stoich.:

AB3C3D3E37F37 (1)

Weight, g/mol:

612.341067

ΔHf, kcal/mol:

-227.79

Dipole, Da:

5.44

IP(EA), eV:

 -9.24(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-[4-[[4-methoxy-2-propan-2-yl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]-3-methylphenyl]-2,2-dimethylbut-3-enamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2CCCN2C(=O)C3=CC=CC(=C3)C(=O)NC(CC4=CC=CC=C4)C(CNCC5=CC(=CC=C5)C(F)(F)F)O)Cl

DOS

IR

Vibrations