Geometry & MOs

Info

ID:

109004

PubChem CID:

50268016

Reduced:

FO5N6C40H49 (1)

Stoich.:

AB5C6D40E49 (1)

Weight, g/mol:

611.347155

ΔHf, kcal/mol:

-244.36

Dipole, Da:

7.33

IP(EA), eV:

 -8.71(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(butan-2-ylcarbamoyl)-2-methylphenyl]-1-[1-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC=C(C=C2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=C(C=C5)C)F)C

DOS

IR

Vibrations