Geometry & MOs

Info

ID:

115967

PubChem CID:

50541357

Reduced:

ClO4N5C31H40 (1)

Stoich.:

AB4C5D31E40 (1)

Weight, g/mol:

616.280946

ΔHf, kcal/mol:

-167.4

Dipole, Da:

4.72

IP(EA), eV:

 -9.04(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-acetamidoanilino)-3-oxopropyl]-1-[2-[3-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)N4CCCCC4)Cl

DOS

IR

Vibrations