Geometry & MOs

Info

ID:

106666

PubChem CID:

50172330

Reduced:

SO4N7C32H47 (1)

Stoich.:

AB4C7D32E47 (1)

Weight, g/mol:

607.353383

ΔHf, kcal/mol:

-160.99

Dipole, Da:

10.97

IP(EA), eV:

 -8.88(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-fluoro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-4-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=NN=C(S4)C(C)C

DOS

IR

Vibrations