Geometry & MOs

Info

ID:

104219

PubChem CID:

50096683

Reduced:

F2O5N6C42H44 (1)

Stoich.:

A2B5C6D42E44 (1)

Weight, g/mol:

754.385412

ΔHf, kcal/mol:

-236.76

Dipole, Da:

12.5

IP(EA), eV:

 -8.81(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)C(=O)NC6=CC(=C(C=C6)C)F

DOS

IR

Vibrations