Geometry & MOs

Info

ID:

114607

PubChem CID:

50489605

Reduced:

ClFO5N6C37H44 (1)

Stoich.:

ABC5D6E37F44 (1)

Weight, g/mol:

616.280946

ΔHf, kcal/mol:

-240.1

Dipole, Da:

7.61

IP(EA), eV:

 -8.92(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(5-acetamido-2-fluoroanilino)-2-oxoethyl]-1-[2-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)NCC(C)C)Cl)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations