Geometry & MOs

Info

ID:

100366

PubChem CID:

50060527

Reduced:

FN5O6C37H46 (1)

Stoich.:

AB5C6D37E46 (1)

Weight, g/mol:

774.367175

ΔHf, kcal/mol:

-269.58

Dipole, Da:

8.71

IP(EA), eV:

 -8.18(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(3-methylpiperidine-1-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]-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)C)C(=O)NC4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations