Geometry & MOs

Info

ID:

119586

PubChem CID:

50692015

Reduced:

ClF3N4O4C27H30 (1)

Stoich.:

AB3C4D4E27F30 (1)

Weight, g/mol:

718.304574

ΔHf, kcal/mol:

-309.7

Dipole, Da:

5.29

IP(EA), eV:

 -9.11(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC=C4OC(F)(F)F

DOS

IR

Vibrations