Geometry & MOs

Info

ID:

114531

PubChem CID:

50486962

Reduced:

FO5N6C38H43 (1)

Stoich.:

AB5C6D38E43 (1)

Weight, g/mol:

696.343547

ΔHf, kcal/mol:

-203.28

Dipole, Da:

2.69

IP(EA), eV:

 -9.05(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-(piperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)C(=O)N5CCCC5)C(=O)NC6=CC=C(C=C6)F

DOS

IR

Vibrations