Geometry & MOs

Info

ID:

111915

PubChem CID:

50386368

Reduced:

O5N6C41H52 (1)

Stoich.:

A5B6C41D52 (1)

Weight, g/mol:

694.360946

ΔHf, kcal/mol:

-193.01

Dipole, Da:

6.5

IP(EA), eV:

 -8.81(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(2-methylbutanoylamino)anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-3-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC=C4C(=O)NC5=CC=CC=C5C)C)C

DOS

IR

Vibrations