Geometry & MOs

Info

ID:

108695

PubChem CID:

50254804

Reduced:

ClFO5N6C40H42 (1)

Stoich.:

ABC5D6E40F42 (1)

Weight, g/mol:

706.304574

ΔHf, kcal/mol:

-208.72

Dipole, Da:

14.9

IP(EA), eV:

 -8.64(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-(2-methylpropanoylamino)anilino]-3-oxopropyl]-1-[1-[4-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)Cl)C(=O)NC5=CC=CC=C5)C

DOS

IR

Vibrations