Geometry & MOs

Info

ID:

90556

PubChem CID:

49970379

Reduced:

FO4N5C35H46 (1)

Stoich.:

AB4C5D35E46 (1)

Weight, g/mol:

672.399919

ΔHf, kcal/mol:

-219.35

Dipole, Da:

8.8

IP(EA), eV:

 -8.55(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)F)C

DOS

IR

Vibrations