Geometry & MOs

Info

ID:

98752

PubChem CID:

50046165

Reduced:

ClFO5N6C42H46 (1)

Stoich.:

ABC5D6E42F46 (1)

Weight, g/mol:

684.343547

ΔHf, kcal/mol:

-218.26

Dipole, Da:

8.49

IP(EA), eV:

 -8.62(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)C)NC(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations