Geometry & MOs

Info

ID:

100337

PubChem CID:

50060231

Reduced:

F4O5N6H36C38 (1)

Stoich.:

A4B5C6D36E38 (1)

Weight, g/mol:

732.320224

ΔHf, kcal/mol:

-308.39

Dipole, Da:

6.0

IP(EA), eV:

 -8.89(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(diethylcarbamoyl)phenyl]-1-[1-[2-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations