Geometry & MOs

Info

ID:

100118

PubChem CID:

50058537

Reduced:

FO5N6C40H47 (1)

Stoich.:

AB5C6D40E47 (1)

Weight, g/mol:

621.275133

ΔHf, kcal/mol:

-222.36

Dipole, Da:

12.03

IP(EA), eV:

 -8.5(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC=C5C(=O)N6CCCC6

DOS

IR

Vibrations