Geometry & MOs

Info

ID:

96131

PubChem CID:

50019071

Reduced:

F2O5N6C44H50 (1)

Stoich.:

A2B5C6D44E50 (1)

Weight, g/mol:

780.381075

ΔHf, kcal/mol:

-252.69

Dipole, Da:

4.82

IP(EA), eV:

 -9.16(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4C)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations