Geometry & MOs

Info

ID:

97540

PubChem CID:

50032425

Reduced:

F2O5N6C43H46 (1)

Stoich.:

A2B5C6D43E46 (1)

Weight, g/mol:

746.335875

ΔHf, kcal/mol:

-240.12

Dipole, Da:

11.82

IP(EA), eV:

 -8.43(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(diethylcarbamoyl)phenyl]-1-[1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)NC(=O)C6=CC=CC=C6F)C

DOS

IR

Vibrations