Geometry & MOs

Info

ID:

109046

PubChem CID:

50270708

Reduced:

F4O5N6H38C39 (1)

Stoich.:

A4B5C6D38E39 (1)

Weight, g/mol:

712.374847

ΔHf, kcal/mol:

-321.25

Dipole, Da:

11.14

IP(EA), eV:

 -8.97(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methyl-6-(2-methylpropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC=CC=C5F

DOS

IR

Vibrations