Geometry & MOs

Info

ID:

111267

PubChem CID:

50360318

Reduced:

F2O5N6C40H46 (1)

Stoich.:

A2B5C6D40E46 (1)

Weight, g/mol:

740.369761

ΔHf, kcal/mol:

-268.77

Dipole, Da:

7.78

IP(EA), eV:

 -8.84(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[3-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-fluoro-3-[(3-methoxybenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC=C(C=C5)F)C(=O)NC6CCCCC6

DOS

IR

Vibrations