Geometry & MOs

Info

ID:

112788

PubChem CID:

50419850

Reduced:

ClO5N6C36H51 (1)

Stoich.:

AB5C6D36E51 (1)

Weight, g/mol:

746.283981

ΔHf, kcal/mol:

-241.41

Dipole, Da:

7.27

IP(EA), eV:

 -8.97(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)C(=O)NC(C)C)Cl)C

DOS

IR

Vibrations