Geometry & MOs

Info

ID:

90123

PubChem CID:

49966601

Reduced:

F2O5N6C40H46 (1)

Stoich.:

A2B5C6D40E46 (1)

Weight, g/mol:

738.390497

ΔHf, kcal/mol:

-264.89

Dipole, Da:

6.79

IP(EA), eV:

 -8.75(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[[2-(4-fluorophenyl)acetyl]amino]-4-methylphenyl]-1-[1-[1-[2-methyl-5-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)F)NC(=O)C6=CC=C(C=C6)F

DOS

IR

Vibrations