Geometry & MOs

Info

ID:

119104

PubChem CID:

50670184

Reduced:

ClO4N5C35H48 (1)

Stoich.:

AB4C5D35E48 (1)

Weight, g/mol:

655.295904

ΔHf, kcal/mol:

-197.71

Dipole, Da:

7.4

IP(EA), eV:

 -8.65(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC=C4C)C

DOS

IR

Vibrations