Geometry & MOs

Info

ID:

114385

PubChem CID:

50481297

Reduced:

ClFO5N6C38H38 (1)

Stoich.:

ABC5D6E38F38 (1)

Weight, g/mol:

616.280946

ΔHf, kcal/mol:

-187.74

Dipole, Da:

7.27

IP(EA), eV:

 -8.9(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-acetamidoanilino)-2-oxoethyl]-1-[1-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=CC=C3)NC(=O)C4=CC(=CC=C4)Cl)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations