Geometry & MOs

Info

ID:

97180

PubChem CID:

50028389

Reduced:

FN6O6C42H53 (1)

Stoich.:

AB6C6D42E53 (1)

Weight, g/mol:

702.354111

ΔHf, kcal/mol:

-276.69

Dipole, Da:

10.79

IP(EA), eV:

 -8.93(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-acetamido-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[5-[(5-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=CC(=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCC5)OC

DOS

IR

Vibrations