Geometry & MOs

Info

ID:

109231

PubChem CID:

50277743

Reduced:

FO5N6C41H45 (1)

Stoich.:

AB5C6D41E45 (1)

Weight, g/mol:

641.35772

ΔHf, kcal/mol:

-196.41

Dipole, Da:

13.32

IP(EA), eV:

 -8.47(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-methoxy-5-methylanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=C(C=C5)F)C)C

DOS

IR

Vibrations