Geometry & MOs

Info

ID:

117175

PubChem CID:

50593952

Reduced:

ClFN6O6C34H36 (1)

Stoich.:

ABC6D6E34F36 (1)

Weight, g/mol:

696.227467

ΔHf, kcal/mol:

-243.89

Dipole, Da:

5.25

IP(EA), eV:

 -9.08(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-N-[2-[4-[(3,4-difluorophenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)F)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations