Geometry & MOs

Info

ID:

185911

PubChem CID:

77367977

Reduced:

N3O5C24H25 (1)

Stoich.:

A3B5C24D25 (1)

Weight, g/mol:

616.258263

ΔHf, kcal/mol:

-129.94

Dipole, Da:

7.95

IP(EA), eV:

 -8.49(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-2-(2,2,2-trifluoro-1-phenylethyl)pentanamide

Drug info:

PubChemData

Smile

CN(CC1CNC(=O)C2=C3C1=CNC3=CC=C2)CC4=CC=CC=C4.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations