Geometry & MOs

Info

ID:

111131

PubChem CID:

50353059

Reduced:

O5N6C34H44 (1)

Stoich.:

A5B6C34D44 (1)

Weight, g/mol:

630.352969

ΔHf, kcal/mol:

-198.94

Dipole, Da:

5.14

IP(EA), eV:

 -8.9(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC=C3C(=O)N4CCCC4)C(=O)N5CCCC5

DOS

IR

Vibrations