Geometry & MOs

Info

ID:

113833

PubChem CID:

50460825

Reduced:

F2O5N6C40H48 (1)

Stoich.:

A2B5C6D40E48 (1)

Weight, g/mol:

764.349775

ΔHf, kcal/mol:

-287.32

Dipole, Da:

7.53

IP(EA), eV:

 -8.68(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4CCCC4)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations