Geometry & MOs

Info

ID:

97641

PubChem CID:

50033280

Reduced:

FN6O6C44H49 (1)

Stoich.:

AB6C6D44E49 (1)

Weight, g/mol:

768.401062

ΔHf, kcal/mol:

-244.89

Dipole, Da:

10.68

IP(EA), eV:

 -8.4(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6=C(C=C(C=C6)F)C)C)OC

DOS

IR

Vibrations