Geometry & MOs

Info

ID:

102953

PubChem CID:

50070260

Reduced:

BrFO4N5C33H35 (1)

Stoich.:

ABC4D5E33F35 (1)

Weight, g/mol:

633.251811

ΔHf, kcal/mol:

-166.23

Dipole, Da:

8.63

IP(EA), eV:

 -8.73(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-chloro-2-methylphenyl)-1-[1-[2-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC=C5Br

DOS

IR

Vibrations