Geometry & MOs

Info

ID:

110972

PubChem CID:

50346718

Reduced:

N5O5C34H45 (1)

Stoich.:

A5B5C34D45 (1)

Weight, g/mol:

587.347155

ΔHf, kcal/mol:

-194.66

Dipole, Da:

5.52

IP(EA), eV:

 -8.17(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-1-[1-[1-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)N5CCCC5

DOS

IR

Vibrations