Geometry & MOs

Info

ID:

99683

PubChem CID:

50054092

Reduced:

ClFO5N6C37H44 (1)

Stoich.:

ABC5D6E37F44 (1)

Weight, g/mol:

738.334125

ΔHf, kcal/mol:

-245.7

Dipole, Da:

7.05

IP(EA), eV:

 -8.69(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[4-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC(=C4)F)C)C)Cl

DOS

IR

Vibrations