Geometry & MOs

Info

ID:

105442

PubChem CID:

50107227

Reduced:

FO5N6C28H35 (1)

Stoich.:

AB5C6D28E35 (1)

Weight, g/mol:

541.245582

ΔHf, kcal/mol:

-247.55

Dipole, Da:

5.34

IP(EA), eV:

 -8.85(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N)C)F

DOS

IR

Vibrations