Geometry & MOs

Info

ID:

114326

PubChem CID:

50478900

Reduced:

FO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

716.368619

ΔHf, kcal/mol:

-228.63

Dipole, Da:

9.26

IP(EA), eV:

 -8.91(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC(C)C)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations