Geometry & MOs

Info

ID:

106497

PubChem CID:

50165505

Reduced:

FO5N6C37H49 (1)

Stoich.:

AB5C6D37E49 (1)

Weight, g/mol:

648.363533

ΔHf, kcal/mol:

-267.9

Dipole, Da:

4.17

IP(EA), eV:

 -8.79(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-methoxy-5-(methylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-4-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)NC(=O)C5CCCCC5)F

DOS

IR

Vibrations