Geometry & MOs

Info

ID:

190550

PubChem CID:

78019773

Reduced:

FSN2O7C18H21 (1)

Stoich.:

ABC2D7E18F21 (1)

Weight, g/mol:

574.322685

ΔHf, kcal/mol:

-336.95

Dipole, Da:

3.96

IP(EA), eV:

 -9.68(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(1,3-dihydroisoindol-2-yl)-2-[3-[2-[[4-[hydroxy(dimethyl)silyl]-2-[4-hydroxy-3-(hydroxymethyl)phenyl]-4-methylpentyl]amino]propyl]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N(CC1CN(C(=O)O1)C2=CC(=C(C=C2)C3CCS(=O)(=O)CC3)F)C(=O)O

DOS

IR

Vibrations