Geometry & MOs

Info

ID:

114725

PubChem CID:

50494057

Reduced:

F2O5N6C37H42 (1)

Stoich.:

A2B5C6D37E42 (1)

Weight, g/mol:

559.259483

ΔHf, kcal/mol:

-264.42

Dipole, Da:

10.53

IP(EA), eV:

 -8.95(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-acetamidophenyl)-1-[1-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)C(=O)N4CCCC4)C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations