Geometry & MOs

Info

ID:

118755

PubChem CID:

50657705

Reduced:

ClO5N6C32H41 (1)

Stoich.:

AB5C6D32E41 (1)

Weight, g/mol:

684.259374

ΔHf, kcal/mol:

-207.12

Dipole, Da:

3.92

IP(EA), eV:

 -9.12(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)C(=O)N)C

DOS

IR

Vibrations