Geometry & MOs

Info

ID:

224096

PubChem CID:

85338121

Reduced:

ClON3C38H40 (1)

Stoich.:

ABC3D38E40 (1)

Weight, g/mol:

593.342899

ΔHf, kcal/mol:

35.48

Dipole, Da:

5.86

IP(EA), eV:

 -8.8(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N-[1-(3,5-difluorophenyl)-5-[(4-ethylphenyl)methylamino]-3-hydroxypentan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(CC3=CC4=CC=CC=C4C=C3)CNC(CC5=CC=C(C=C5)Cl)CNC

DOS

IR

Vibrations