Geometry & MOs

Info

ID:

113449

PubChem CID:

50445836

Reduced:

N5O5C35H39 (1)

Stoich.:

A5B5C35D39 (1)

Weight, g/mol:

595.315855

ΔHf, kcal/mol:

-163.79

Dipole, Da:

12.94

IP(EA), eV:

 -8.46(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4)C(=O)C)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations