Geometry & MOs

Info

ID:

108325

PubChem CID:

50241326

Reduced:

ClFO5N6C42H52 (1)

Stoich.:

ABC5D6E42F52 (1)

Weight, g/mol:

742.365425

ΔHf, kcal/mol:

-252.15

Dipole, Da:

8.63

IP(EA), eV:

 -8.77(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=C(C=C5)F)C)C)Cl

DOS

IR

Vibrations