Geometry & MOs

Info

ID:

102408

PubChem CID:

50067010

Reduced:

FCl2O4N5C32H34 (1)

Stoich.:

AB2C4D5E32F34 (1)

Weight, g/mol:

559.259483

ΔHf, kcal/mol:

-185.33

Dipole, Da:

11.24

IP(EA), eV:

 -8.72(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-anilino-3-oxopropyl)-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations