Geometry & MOs

Info

ID:

95471

PubChem CID:

50009565

Reduced:

FO5N6C35H39 (1)

Stoich.:

AB5C6D35E39 (1)

Weight, g/mol:

576.306018

ΔHf, kcal/mol:

-205.84

Dipole, Da:

11.32

IP(EA), eV:

 -8.76(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-(propanoylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC=C4C(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations