Geometry & MOs

Info

ID:

111152

PubChem CID:

50354465

Reduced:

ClO5N6C37H43 (1)

Stoich.:

AB5C6D37E43 (1)

Weight, g/mol:

649.339483

ΔHf, kcal/mol:

-192.32

Dipole, Da:

6.5

IP(EA), eV:

 -8.67(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)N5CCCCC5)Cl

DOS

IR

Vibrations