Geometry & MOs

Info

ID:

97716

PubChem CID:

50034143

Reduced:

FN5O5C37H44 (1)

Stoich.:

AB5C5D37E44 (1)

Weight, g/mol:

756.381075

ΔHf, kcal/mol:

-229.52

Dipole, Da:

6.34

IP(EA), eV:

 -8.83(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-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=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4)C(=O)C

DOS

IR

Vibrations