Geometry & MOs

Info

ID:

106489

PubChem CID:

50165363

Reduced:

FO4N5C28H34 (1)

Stoich.:

AB4C5D28E34 (1)

Weight, g/mol:

551.256626

ΔHf, kcal/mol:

-194.23

Dipole, Da:

8.38

IP(EA), eV:

 -8.74(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)F)NC(=O)C

DOS

IR

Vibrations