Geometry & MOs

Info

ID:

114553

PubChem CID:

50488137

Reduced:

ClFO4N5C33H35 (1)

Stoich.:

ABC4D5E33F35 (1)

Weight, g/mol:

663.18565

ΔHf, kcal/mol:

-166.85

Dipole, Da:

5.17

IP(EA), eV:

 -8.98(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)Cl)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations