Geometry & MOs

Info

ID:

113470

PubChem CID:

50446912

Reduced:

ClFO5N6C42H50 (1)

Stoich.:

ABC5D6E42F50 (1)

Weight, g/mol:

746.335875

ΔHf, kcal/mol:

-242.72

Dipole, Da:

8.4

IP(EA), eV:

 -9.05(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(butan-2-ylcarbamoyl)-5-chlorophenyl]-1-[1-[1-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)Cl)C(=O)NC6CCCCC6)C

DOS

IR

Vibrations