Geometry & MOs

Info

ID:

116644

PubChem CID:

50570043

Reduced:

ClFN5O5C31H39 (1)

Stoich.:

ABC5D5E31F39 (1)

Weight, g/mol:

680.308911

ΔHf, kcal/mol:

-247.57

Dipole, Da:

5.98

IP(EA), eV:

 -8.9(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCOCC4)F

DOS

IR

Vibrations