Geometry & MOs

Info

ID:

108682

PubChem CID:

50254436

Reduced:

F2O5N6C38H46 (1)

Stoich.:

A2B5C6D38E46 (1)

Weight, g/mol:

598.290368

ΔHf, kcal/mol:

-283.61

Dipole, Da:

14.56

IP(EA), eV:

 -8.82(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-4-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=C(C=CC(=C4)F)C)C)F

DOS

IR

Vibrations