Geometry & MOs

Info

ID:

94896

PubChem CID:

50004726

Reduced:

ClO5N6C27H33 (1)

Stoich.:

AB5C6D27E33 (1)

Weight, g/mol:

682.384269

ΔHf, kcal/mol:

-196.29

Dipole, Da:

7.27

IP(EA), eV:

 -8.99(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)N

DOS

IR

Vibrations