Geometry & MOs

Info

ID:

99344

PubChem CID:

50050119

Reduced:

F2O5N6C43H46 (1)

Stoich.:

A2B5C6D43E46 (1)

Weight, g/mol:

768.324703

ΔHf, kcal/mol:

-241.74

Dipole, Da:

18.46

IP(EA), eV:

 -8.5(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylphenyl]-1-[1-[2-[5-[(4-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=C(C=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)NCC6=CC=C(C=C6)F)C

DOS

IR

Vibrations