Geometry & MOs

Info

ID:

96132

PubChem CID:

50019074

Reduced:

F2O5N6C44H50 (1)

Stoich.:

A2B5C6D44E50 (1)

Weight, g/mol:

768.320224

ΔHf, kcal/mol:

-262.09

Dipole, Da:

11.74

IP(EA), eV:

 -8.82(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-2-(phenylcarbamoyl)anilino]-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)NC5=C(C=CC(=C5)F)C

DOS

IR

Vibrations