Geometry & MOs

Info

ID:

100089

PubChem CID:

50058087

Reduced:

F2O5N6C42H46 (1)

Stoich.:

A2B5C6D42E46 (1)

Weight, g/mol:

738.334125

ΔHf, kcal/mol:

-259.56

Dipole, Da:

9.95

IP(EA), eV:

 -8.66(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(5-fluoro-2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]-1-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-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)NC(C)C(=O)NC4=CC(=C(C=C4)C)NC(=O)CC5=CC=C(C=C5)F

DOS

IR

Vibrations