Geometry & MOs

Info

ID:

114782

PubChem CID:

50496902

Reduced:

ClFO5N6C38H44 (1)

Stoich.:

ABC5D6E38F44 (1)

Weight, g/mol:

676.318475

ΔHf, kcal/mol:

-227.03

Dipole, Da:

4.58

IP(EA), eV:

 -9.08(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[2-methyl-6-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCCC4)Cl)C(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations