Geometry & MOs

Info

ID:

114558

PubChem CID:

50488513

Reduced:

ClFN6O6C38H42 (1)

Stoich.:

ABC6D6E38F42 (1)

Weight, g/mol:

730.304574

ΔHf, kcal/mol:

-248.01

Dipole, Da:

8.18

IP(EA), eV:

 -8.93(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(cyclopentylcarbamoyl)phenyl]-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=C(C=C(C=C4)Cl)C(=O)N5CCOCC5)C(=O)NC6=CC=C(C=C6)F

DOS

IR

Vibrations