Geometry & MOs

Info

ID:

100011

PubChem CID:

50057379

Reduced:

ClFN6O6C38H44 (1)

Stoich.:

ABC6D6E38F44 (1)

Weight, g/mol:

720.320224

ΔHf, kcal/mol:

-268.22

Dipole, Da:

6.6

IP(EA), eV:

 -8.75(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-2-(diethylcarbamoyl)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)NCCC(=O)NC4=C(C=C(C=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations