Geometry & MOs

Info

ID:

102373

PubChem CID:

50066719

Reduced:

F2O5N6C39H46 (1)

Stoich.:

A2B5C6D39E46 (1)

Weight, g/mol:

710.302825

ΔHf, kcal/mol:

-284.67

Dipole, Da:

9.1

IP(EA), eV:

 -8.69(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(4-fluoro-2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)F)NC(=O)C5CCCCC5

DOS

IR

Vibrations