Geometry & MOs

Info

ID:

187754

PubChem CID:

77619074

Reduced:

O4N7C19H27 (1)

Stoich.:

A4B7C19D27 (1)

Weight, g/mol:

619.283333

ΔHf, kcal/mol:

-85.76

Dipole, Da:

4.82

IP(EA), eV:

 -8.72(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N-[1-(2,4-difluorophenyl)-3-hydroxy-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CCCC1=C(N(N=C1C)C2=NC(=C3C(=N2)N(C=N3)C4C(C(C(O4)CO)O)O)NC)C

DOS

IR

Vibrations