Geometry & MOs

Info

ID:

120599

PubChem CID:

50736406

Reduced:

F2O5N6C37H42 (1)

Stoich.:

A2B5C6D37E42 (1)

Weight, g/mol:

686.298346

ΔHf, kcal/mol:

-257.0

Dipole, Da:

4.47

IP(EA), eV:

 -8.91(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[2-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC=CC=C2NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=C(C=C4)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations