Geometry & MOs

Info

ID:

118746

PubChem CID:

50657267

Reduced:

ClFO5N6C35H46 (1)

Stoich.:

ABC5D6E35F46 (1)

Weight, g/mol:

678.329646

ΔHf, kcal/mol:

-269.36

Dipole, Da:

3.54

IP(EA), eV:

 -9.15(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[3-[2-methyl-6-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC(=C(C=C1)F)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCCC(C4)C)Cl

DOS

IR

Vibrations