Geometry & MOs

Info

ID:

118087

PubChem CID:

50628385

Reduced:

ClFO5N6C32H34 (1)

Stoich.:

ABC5D6E32F34 (1)

Weight, g/mol:

654.216902

ΔHf, kcal/mol:

-217.34

Dipole, Da:

10.69

IP(EA), eV:

 -9.09(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(5-carbamoyl-2-chloroanilino)-1-oxopropan-2-yl]-N-[3-[2-[(3,4-difluorophenyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N)Cl)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC=C3C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations