Geometry & MOs

Info

ID:

119232

PubChem CID:

50674784

Reduced:

ClFO5N6C34H42 (1)

Stoich.:

ABC5D6E34F42 (1)

Weight, g/mol:

660.222988

ΔHf, kcal/mol:

-253.72

Dipole, Da:

6.82

IP(EA), eV:

 -8.57(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-(dimethylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[2-chloro-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N2CCCCC2)Cl)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)NC(=O)C)F

DOS

IR

Vibrations