Geometry & MOs

Info

ID:

105607

PubChem CID:

50130576

Reduced:

O5N6C39H52 (1)

Stoich.:

A5B6C39D52 (1)

Weight, g/mol:

710.359197

ΔHf, kcal/mol:

-216.9

Dipole, Da:

7.09

IP(EA), eV:

 -8.88(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]-1-[1-[2-[2-methyl-4-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)C(=O)NC6CCCCC6

DOS

IR

Vibrations