Geometry & MOs

Info

ID:

187755

PubChem CID:

77619223

Reduced:

N3O3F5C33H38 (1)

Stoich.:

A3B3C5D33E38 (1)

Weight, g/mol:

660.385098

ΔHf, kcal/mol:

-355.79

Dipole, Da:

5.22

IP(EA), eV:

 -9.46(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N-[4-[[3-(6-cyanohexyl)phenyl]methylamino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=C(C=C(C=C2)F)F)C(CNCC3=CC(=CC=C3)C(F)(F)F)O)C

DOS

IR

Vibrations