Geometry & MOs

Info

ID:

115768

PubChem CID:

50533418

Reduced:

ClFO4N5C35H39 (1)

Stoich.:

ABC4D5E35F39 (1)

Weight, g/mol:

641.25356

ΔHf, kcal/mol:

-184.86

Dipole, Da:

10.1

IP(EA), eV:

 -8.88(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(3-methylpiperidine-1-carbonyl)phenyl]-1-[2-[4-chloro-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCCCC5

DOS

IR

Vibrations