Geometry & MOs

Info

ID:

104221

PubChem CID:

50096697

Reduced:

FN6O6C43H47 (1)

Stoich.:

AB6C6D43E47 (1)

Weight, g/mol:

712.374847

ΔHf, kcal/mol:

-230.57

Dipole, Da:

9.73

IP(EA), eV:

 -8.81(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-methyl-3-(2-methylbutanoylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)NC6=CC=CC=C6C)OC

DOS

IR

Vibrations