Geometry & MOs

Info

ID:

106501

PubChem CID:

50165534

Reduced:

FN6O6C40H49 (1)

Stoich.:

AB6C6D40E49 (1)

Weight, g/mol:

561.331505

ΔHf, kcal/mol:

-265.84

Dipole, Da:

11.92

IP(EA), eV:

 -8.59(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methyl-3-(2-methylpropylcarbamoyl)phenyl]-1-[2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=C(C=C5)F)OC

DOS

IR

Vibrations