Geometry & MOs

Info

ID:

90761

PubChem CID:

49971898

Reduced:

SO4N5C35H49 (1)

Stoich.:

AB4C5D35E49 (1)

Weight, g/mol:

623.323833

ΔHf, kcal/mol:

-178.35

Dipole, Da:

8.03

IP(EA), eV:

 -8.55(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=CC=C4)SC

DOS

IR

Vibrations