Geometry & MOs

Info

ID:

112454

PubChem CID:

50407670

Reduced:

F2O5N6C44H48 (1)

Stoich.:

A2B5C6D44E48 (1)

Weight, g/mol:

670.327897

ΔHf, kcal/mol:

-247.8

Dipole, Da:

12.12

IP(EA), eV:

 -8.69(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-carbamoyl-2-methylphenyl)-1-[1-[1-[3-[(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)NC(=O)C2=CC(=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC=CC(=C5C)C(=O)NCC6=CC=C(C=C6)F)C)F

DOS

IR

Vibrations